USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 870 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 87 LYS NZ :NH3+ -106:sc= 1.25 (180deg=0.482) USER MOD Set 1.2: B 745 SER OG : rot -39:sc= 0.195 USER MOD Set 2.1: A 67 HIS : no HD1:sc= -0.213 K(o=5.7,f=4.7) USER MOD Set 2.2: A 71 CYS SG : rot 100:sc= 1.31 USER MOD Set 2.3: A 76 CYS SG : rot 135:sc= 0.672 USER MOD Set 2.4: A 81 CYS SG : rot -164:sc= 1.13 USER MOD Set 2.5: A 85 LYS NZ :NH3+ 141:sc= 2.81 (180deg=0.904) USER MOD Set 3.1: A 42 HIS : no HE2:sc= -2.89! X(o=4!,f=3.9) USER MOD Set 3.2: A 43 THR OG1 : rot -46:sc= 1.11 USER MOD Set 3.3: A 46 CYS SG : rot 162:sc= 2.74 USER MOD Set 3.4: A 49 LYS NZ :NH3+ 151:sc= -0.489 (180deg=-2.88!) USER MOD Set 3.5: A 54 CYS SG : rot -159:sc= 1.97 USER MOD Set 3.6: A 57 CYS SG : rot 132:sc= 1.52 USER MOD Set 4.1: A 19 HIS : no HD1:sc= -1.31 X(o=7.2,f=7.6) USER MOD Set 4.2: A 23 CYS SG : rot 21:sc= 1.25 USER MOD Set 4.3: A 25 ASN : amide:sc= 0.895 K(o=7.2,f=5.9) USER MOD Set 4.4: A 28 CYS SG : rot 132:sc= 2.7 USER MOD Set 4.5: A 33 CYS SG : rot -159:sc= 0.807 USER MOD Set 4.6: A 37 LYS NZ :NH3+ 155:sc= 2.82 (180deg=1.1) USER MOD Single : A 5 SER OG : rot -160:sc= 0.392 USER MOD Single : A 9 SER OG : rot -115:sc= 1.3 USER MOD Single : A 11 GLN : amide:sc= -0.0314 X(o=-0.031,f=-0.48) USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -0.0604 X(o=-0.06,f=-0.06) USER MOD Single : A 16 SER OG : rot 74:sc= 0.519 USER MOD Single : A 21 CYS SG : rot 79:sc= 0.0205 USER MOD Single : A 22 GLN : amide:sc= 0.854 K(o=0.85,f=0) USER MOD Single : A 27 ASN : amide:sc=-0.00671 X(o=-0.0067,f=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 1.21 K(o=1.2,f=-0.55) USER MOD Single : A 35 LYS NZ :NH3+ -145:sc= 0.785 (180deg=0.337) USER MOD Single : A 36 MET CE :methyl 171:sc= -0.268 (180deg=-0.367) USER MOD Single : A 41 GLN : amide:sc=-0.00124 X(o=-0.0012,f=-0.0012) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 155:sc= 0.912 USER MOD Single : A 51 ASN : amide:sc= 0.912 K(o=0.91,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0.839 K(o=0.84,f=-1) USER MOD Single : A 64 CYS SG : rot 79:sc= 0.324 USER MOD Single : A 65 CYS SG : rot 157:sc= 0.618 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0272) USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0.658 K(o=0.66,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 176:sc= 1.2 (180deg=1.05) USER MOD Single : A 83 ASN : amide:sc= 0.729 K(o=0.73,f=0) USER MOD Single : A 86 HIS : no HD1:sc=-0.00447 X(o=-0.0045,f=-0.001) USER MOD Single : B 722 ASN : amide:sc= -0.0713 X(o=-0.071,f=-0.02) USER MOD Single : B 726 MET CE :methyl 173:sc=-0.00117 (180deg=-0.0823) USER MOD Single : B 727 SER OG : rot 79:sc= 1.14 USER MOD Single : B 735 SER OG : rot 76:sc= 0.792 USER MOD Single : B 740 SER OG : rot -17:sc= 0.537 USER MOD Single : B 746 MET CE :methyl 176:sc= -3.58! (180deg=-3.62) USER MOD ----------------------------------------------------------------- ATOM 43 N GLU A 4 51.056 -13.458 28.051 1.00 0.00 N ATOM 44 CA GLU A 4 50.487 -14.805 27.923 1.00 0.00 C ATOM 45 C GLU A 4 48.965 -14.783 27.717 1.00 0.00 C ATOM 46 O GLU A 4 48.464 -15.583 26.933 1.00 0.00 O ATOM 47 CB GLU A 4 50.846 -15.659 29.146 1.00 0.00 C ATOM 48 CG GLU A 4 52.304 -16.128 29.111 1.00 0.00 C ATOM 49 CD GLU A 4 52.656 -16.941 30.371 1.00 0.00 C ATOM 50 OE1 GLU A 4 53.056 -16.334 31.393 1.00 0.00 O ATOM 51 OE2 GLU A 4 52.540 -18.190 30.346 1.00 0.00 O ATOM 0 HA GLU A 4 50.926 -15.251 27.031 1.00 0.00 H new ATOM 0 HB2 GLU A 4 50.673 -15.082 30.054 1.00 0.00 H new ATOM 0 HB3 GLU A 4 50.187 -16.526 29.188 1.00 0.00 H new ATOM 0 HG2 GLU A 4 52.472 -16.737 28.223 1.00 0.00 H new ATOM 0 HG3 GLU A 4 52.965 -15.265 29.035 1.00 0.00 H new ATOM 58 N SER A 5 48.224 -13.865 28.350 1.00 0.00 N ATOM 59 CA SER A 5 46.763 -13.758 28.179 1.00 0.00 C ATOM 60 C SER A 5 46.341 -13.669 26.706 1.00 0.00 C ATOM 61 O SER A 5 45.421 -14.364 26.269 1.00 0.00 O ATOM 62 CB SER A 5 46.219 -12.544 28.944 1.00 0.00 C ATOM 63 OG SER A 5 46.723 -11.326 28.416 1.00 0.00 O ATOM 0 H SER A 5 48.615 -13.177 28.993 1.00 0.00 H new ATOM 0 HA SER A 5 46.337 -14.675 28.587 1.00 0.00 H new ATOM 0 HB2 SER A 5 45.130 -12.540 28.895 1.00 0.00 H new ATOM 0 HB3 SER A 5 46.490 -12.625 29.997 1.00 0.00 H new ATOM 0 HG SER A 5 46.630 -10.616 29.085 1.00 0.00 H new ATOM 69 N ARG A 6 47.053 -12.845 25.925 1.00 0.00 N ATOM 70 CA ARG A 6 46.843 -12.645 24.483 1.00 0.00 C ATOM 71 C ARG A 6 47.174 -13.919 23.703 1.00 0.00 C ATOM 72 O ARG A 6 46.340 -14.420 22.953 1.00 0.00 O ATOM 73 CB ARG A 6 47.709 -11.463 23.992 1.00 0.00 C ATOM 74 CG ARG A 6 47.500 -10.127 24.729 1.00 0.00 C ATOM 75 CD ARG A 6 46.046 -9.651 24.659 1.00 0.00 C ATOM 76 NE ARG A 6 45.866 -8.292 25.214 1.00 0.00 N ATOM 77 CZ ARG A 6 45.743 -7.934 26.481 1.00 0.00 C ATOM 78 NH1 ARG A 6 45.851 -8.759 27.484 1.00 0.00 N ATOM 79 NH2 ARG A 6 45.498 -6.692 26.771 1.00 0.00 N ATOM 0 H ARG A 6 47.818 -12.279 26.292 1.00 0.00 H new ATOM 0 HA ARG A 6 45.793 -12.412 24.308 1.00 0.00 H new ATOM 0 HB2 ARG A 6 48.758 -11.745 24.080 1.00 0.00 H new ATOM 0 HB3 ARG A 6 47.509 -11.307 22.932 1.00 0.00 H new ATOM 0 HG2 ARG A 6 47.794 -10.239 25.773 1.00 0.00 H new ATOM 0 HG3 ARG A 6 48.151 -9.368 24.294 1.00 0.00 H new ATOM 0 HD2 ARG A 6 45.713 -9.663 23.621 1.00 0.00 H new ATOM 0 HD3 ARG A 6 45.412 -10.350 25.205 1.00 0.00 H new ATOM 0 HE ARG A 6 45.832 -7.534 24.532 1.00 0.00 H new ATOM 0 HH11 ARG A 6 46.042 -9.746 27.314 1.00 0.00 H new ATOM 0 HH12 ARG A 6 45.745 -8.417 28.439 1.00 0.00 H new ATOM 0 HH21 ARG A 6 45.402 -6.003 26.025 1.00 0.00 H new ATOM 0 HH22 ARG A 6 45.401 -6.405 27.745 1.00 0.00 H new ATOM 93 N ARG A 7 48.375 -14.467 23.917 1.00 0.00 N ATOM 94 CA ARG A 7 48.908 -15.685 23.270 1.00 0.00 C ATOM 95 C ARG A 7 48.007 -16.902 23.466 1.00 0.00 C ATOM 96 O ARG A 7 47.667 -17.602 22.513 1.00 0.00 O ATOM 97 CB ARG A 7 50.319 -15.957 23.808 1.00 0.00 C ATOM 98 CG ARG A 7 51.262 -14.800 23.458 1.00 0.00 C ATOM 99 CD ARG A 7 52.615 -14.952 24.140 1.00 0.00 C ATOM 100 NE ARG A 7 53.430 -13.772 23.812 1.00 0.00 N ATOM 101 CZ ARG A 7 54.628 -13.433 24.230 1.00 0.00 C ATOM 102 NH1 ARG A 7 55.332 -14.164 25.046 1.00 0.00 N ATOM 103 NH2 ARG A 7 55.111 -12.307 23.801 1.00 0.00 N ATOM 0 H ARG A 7 49.038 -14.059 24.576 1.00 0.00 H new ATOM 0 HA ARG A 7 48.944 -15.508 22.195 1.00 0.00 H new ATOM 0 HB2 ARG A 7 50.283 -16.089 24.889 1.00 0.00 H new ATOM 0 HB3 ARG A 7 50.702 -16.886 23.386 1.00 0.00 H new ATOM 0 HG2 ARG A 7 51.401 -14.758 22.378 1.00 0.00 H new ATOM 0 HG3 ARG A 7 50.807 -13.856 23.758 1.00 0.00 H new ATOM 0 HD2 ARG A 7 52.489 -15.039 25.219 1.00 0.00 H new ATOM 0 HD3 ARG A 7 53.111 -15.862 23.803 1.00 0.00 H new ATOM 0 HE ARG A 7 52.999 -13.117 23.160 1.00 0.00 H new ATOM 0 HH11 ARG A 7 54.957 -15.047 25.392 1.00 0.00 H new ATOM 0 HH12 ARG A 7 56.258 -13.853 25.339 1.00 0.00 H new ATOM 0 HH21 ARG A 7 54.564 -11.726 23.166 1.00 0.00 H new ATOM 0 HH22 ARG A 7 56.038 -12.003 24.099 1.00 0.00 H new ATOM 117 N LEU A 8 47.591 -17.135 24.706 1.00 0.00 N ATOM 118 CA LEU A 8 46.712 -18.236 25.093 1.00 0.00 C ATOM 119 C LEU A 8 45.292 -18.055 24.522 1.00 0.00 C ATOM 120 O LEU A 8 44.672 -19.043 24.124 1.00 0.00 O ATOM 121 CB LEU A 8 46.755 -18.368 26.629 1.00 0.00 C ATOM 122 CG LEU A 8 48.166 -18.707 27.173 1.00 0.00 C ATOM 123 CD1 LEU A 8 48.192 -18.599 28.695 1.00 0.00 C ATOM 124 CD2 LEU A 8 48.656 -20.097 26.770 1.00 0.00 C ATOM 0 H LEU A 8 47.863 -16.547 25.494 1.00 0.00 H new ATOM 0 HA LEU A 8 47.061 -19.175 24.662 1.00 0.00 H new ATOM 0 HB2 LEU A 8 46.414 -17.435 27.077 1.00 0.00 H new ATOM 0 HB3 LEU A 8 46.056 -19.145 26.940 1.00 0.00 H new ATOM 0 HG LEU A 8 48.840 -17.978 26.723 1.00 0.00 H new ATOM 0 HD11 LEU A 8 49.190 -18.840 29.060 1.00 0.00 H new ATOM 0 HD12 LEU A 8 47.933 -17.583 28.992 1.00 0.00 H new ATOM 0 HD13 LEU A 8 47.471 -19.297 29.122 1.00 0.00 H new ATOM 0 HD21 LEU A 8 49.649 -20.267 27.185 1.00 0.00 H new ATOM 0 HD22 LEU A 8 47.968 -20.851 27.154 1.00 0.00 H new ATOM 0 HD23 LEU A 8 48.700 -20.166 25.683 1.00 0.00 H new ATOM 136 N SER A 9 44.803 -16.814 24.402 1.00 0.00 N ATOM 137 CA SER A 9 43.516 -16.508 23.754 1.00 0.00 C ATOM 138 C SER A 9 43.585 -16.797 22.245 1.00 0.00 C ATOM 139 O SER A 9 42.695 -17.452 21.700 1.00 0.00 O ATOM 140 CB SER A 9 43.122 -15.049 24.018 1.00 0.00 C ATOM 141 OG SER A 9 41.802 -14.793 23.581 1.00 0.00 O ATOM 0 H SER A 9 45.289 -15.989 24.752 1.00 0.00 H new ATOM 0 HA SER A 9 42.748 -17.152 24.182 1.00 0.00 H new ATOM 0 HB2 SER A 9 43.204 -14.834 25.083 1.00 0.00 H new ATOM 0 HB3 SER A 9 43.815 -14.383 23.504 1.00 0.00 H new ATOM 0 HG SER A 9 41.821 -14.149 22.843 1.00 0.00 H new ATOM 147 N ILE A 10 44.680 -16.402 21.575 1.00 0.00 N ATOM 148 CA ILE A 10 44.935 -16.700 20.152 1.00 0.00 C ATOM 149 C ILE A 10 44.891 -18.221 19.914 1.00 0.00 C ATOM 150 O ILE A 10 44.269 -18.675 18.954 1.00 0.00 O ATOM 151 CB ILE A 10 46.273 -16.064 19.695 1.00 0.00 C ATOM 152 CG1 ILE A 10 46.194 -14.519 19.692 1.00 0.00 C ATOM 153 CG2 ILE A 10 46.682 -16.543 18.292 1.00 0.00 C ATOM 154 CD1 ILE A 10 47.565 -13.852 19.870 1.00 0.00 C ATOM 0 H ILE A 10 45.425 -15.859 22.011 1.00 0.00 H new ATOM 0 HA ILE A 10 44.150 -16.254 19.541 1.00 0.00 H new ATOM 0 HB ILE A 10 47.026 -16.386 20.415 1.00 0.00 H new ATOM 0 HG12 ILE A 10 45.752 -14.184 18.754 1.00 0.00 H new ATOM 0 HG13 ILE A 10 45.530 -14.192 20.492 1.00 0.00 H new ATOM 0 HG21 ILE A 10 47.624 -16.075 18.008 1.00 0.00 H new ATOM 0 HG22 ILE A 10 46.802 -17.626 18.298 1.00 0.00 H new ATOM 0 HG23 ILE A 10 45.909 -16.268 17.574 1.00 0.00 H new ATOM 0 HD11 ILE A 10 47.447 -12.769 19.860 1.00 0.00 H new ATOM 0 HD12 ILE A 10 47.999 -14.161 20.821 1.00 0.00 H new ATOM 0 HD13 ILE A 10 48.224 -14.153 19.056 1.00 0.00 H new ATOM 166 N GLN A 11 45.483 -19.029 20.806 1.00 0.00 N ATOM 167 CA GLN A 11 45.425 -20.497 20.721 1.00 0.00 C ATOM 168 C GLN A 11 43.984 -21.043 20.781 1.00 0.00 C ATOM 169 O GLN A 11 43.672 -21.995 20.062 1.00 0.00 O ATOM 170 CB GLN A 11 46.312 -21.145 21.798 1.00 0.00 C ATOM 171 CG GLN A 11 47.816 -20.962 21.543 1.00 0.00 C ATOM 172 CD GLN A 11 48.348 -21.729 20.331 1.00 0.00 C ATOM 173 OE1 GLN A 11 47.692 -22.552 19.708 1.00 0.00 O ATOM 174 NE2 GLN A 11 49.581 -21.484 19.950 1.00 0.00 N ATOM 0 H GLN A 11 46.015 -18.685 21.605 1.00 0.00 H new ATOM 0 HA GLN A 11 45.817 -20.770 19.741 1.00 0.00 H new ATOM 0 HB2 GLN A 11 46.061 -20.718 22.769 1.00 0.00 H new ATOM 0 HB3 GLN A 11 46.087 -22.210 21.850 1.00 0.00 H new ATOM 0 HG2 GLN A 11 48.023 -19.901 21.406 1.00 0.00 H new ATOM 0 HG3 GLN A 11 48.364 -21.281 22.429 1.00 0.00 H new ATOM 0 HE21 GLN A 11 50.145 -20.801 20.456 1.00 0.00 H new ATOM 0 HE22 GLN A 11 49.974 -21.977 19.148 1.00 0.00 H new ATOM 183 N ARG A 12 43.071 -20.429 21.555 1.00 0.00 N ATOM 184 CA ARG A 12 41.644 -20.831 21.570 1.00 0.00 C ATOM 185 C ARG A 12 40.995 -20.572 20.207 1.00 0.00 C ATOM 186 O ARG A 12 40.251 -21.417 19.705 1.00 0.00 O ATOM 187 CB ARG A 12 40.841 -20.119 22.678 1.00 0.00 C ATOM 188 CG ARG A 12 41.368 -20.284 24.113 1.00 0.00 C ATOM 189 CD ARG A 12 41.705 -21.740 24.467 1.00 0.00 C ATOM 190 NE ARG A 12 41.962 -21.919 25.909 1.00 0.00 N ATOM 191 CZ ARG A 12 43.106 -21.760 26.551 1.00 0.00 C ATOM 192 NH1 ARG A 12 44.164 -21.241 25.994 1.00 0.00 N ATOM 193 NH2 ARG A 12 43.210 -22.128 27.795 1.00 0.00 N ATOM 0 H ARG A 12 43.291 -19.653 22.179 1.00 0.00 H new ATOM 0 HA ARG A 12 41.622 -21.899 21.785 1.00 0.00 H new ATOM 0 HB2 ARG A 12 40.807 -19.055 22.446 1.00 0.00 H new ATOM 0 HB3 ARG A 12 39.815 -20.485 22.646 1.00 0.00 H new ATOM 0 HG2 ARG A 12 42.260 -19.670 24.239 1.00 0.00 H new ATOM 0 HG3 ARG A 12 40.621 -19.909 24.813 1.00 0.00 H new ATOM 0 HD2 ARG A 12 40.881 -22.386 24.164 1.00 0.00 H new ATOM 0 HD3 ARG A 12 42.582 -22.056 23.902 1.00 0.00 H new ATOM 0 HE ARG A 12 41.162 -22.198 26.477 1.00 0.00 H new ATOM 0 HH11 ARG A 12 44.131 -20.937 25.021 1.00 0.00 H new ATOM 0 HH12 ARG A 12 45.025 -21.139 26.531 1.00 0.00 H new ATOM 0 HH21 ARG A 12 42.409 -22.539 28.274 1.00 0.00 H new ATOM 0 HH22 ARG A 12 44.093 -22.005 28.291 1.00 0.00 H new ATOM 207 N CYS A 13 41.315 -19.440 19.576 1.00 0.00 N ATOM 208 CA CYS A 13 40.838 -19.114 18.231 1.00 0.00 C ATOM 209 C CYS A 13 41.411 -20.094 17.189 1.00 0.00 C ATOM 210 O CYS A 13 40.678 -20.543 16.312 1.00 0.00 O ATOM 211 CB CYS A 13 41.179 -17.659 17.889 1.00 0.00 C ATOM 212 SG CYS A 13 40.343 -16.539 19.050 1.00 0.00 S ATOM 0 H CYS A 13 41.914 -18.722 19.985 1.00 0.00 H new ATOM 0 HA CYS A 13 39.753 -19.221 18.208 1.00 0.00 H new ATOM 0 HB2 CYS A 13 42.257 -17.508 17.937 1.00 0.00 H new ATOM 0 HB3 CYS A 13 40.871 -17.434 16.868 1.00 0.00 H new ATOM 0 HG CYS A 13 40.639 -15.308 18.755 1.00 0.00 H new ATOM 218 N ILE A 14 42.689 -20.479 17.298 1.00 0.00 N ATOM 219 CA ILE A 14 43.317 -21.472 16.410 1.00 0.00 C ATOM 220 C ILE A 14 42.572 -22.809 16.512 1.00 0.00 C ATOM 221 O ILE A 14 42.174 -23.361 15.488 1.00 0.00 O ATOM 222 CB ILE A 14 44.825 -21.596 16.723 1.00 0.00 C ATOM 223 CG1 ILE A 14 45.531 -20.317 16.223 1.00 0.00 C ATOM 224 CG2 ILE A 14 45.467 -22.837 16.076 1.00 0.00 C ATOM 225 CD1 ILE A 14 46.911 -20.075 16.823 1.00 0.00 C ATOM 0 H ILE A 14 43.322 -20.110 18.008 1.00 0.00 H new ATOM 0 HA ILE A 14 43.241 -21.142 15.374 1.00 0.00 H new ATOM 0 HB ILE A 14 44.941 -21.713 17.801 1.00 0.00 H new ATOM 0 HG12 ILE A 14 45.626 -20.371 15.138 1.00 0.00 H new ATOM 0 HG13 ILE A 14 44.898 -19.458 16.445 1.00 0.00 H new ATOM 0 HG21 ILE A 14 46.526 -22.873 16.330 1.00 0.00 H new ATOM 0 HG22 ILE A 14 44.975 -23.736 16.446 1.00 0.00 H new ATOM 0 HG23 ILE A 14 45.355 -22.782 14.993 1.00 0.00 H new ATOM 0 HD11 ILE A 14 47.329 -19.155 16.414 1.00 0.00 H new ATOM 0 HD12 ILE A 14 46.826 -19.985 17.906 1.00 0.00 H new ATOM 0 HD13 ILE A 14 47.566 -20.912 16.579 1.00 0.00 H new ATOM 237 N GLN A 15 42.310 -23.302 17.729 1.00 0.00 N ATOM 238 CA GLN A 15 41.528 -24.528 17.936 1.00 0.00 C ATOM 239 C GLN A 15 40.113 -24.407 17.344 1.00 0.00 C ATOM 240 O GLN A 15 39.622 -25.354 16.729 1.00 0.00 O ATOM 241 CB GLN A 15 41.455 -24.874 19.433 1.00 0.00 C ATOM 242 CG GLN A 15 42.796 -25.355 20.012 1.00 0.00 C ATOM 243 CD GLN A 15 43.205 -26.720 19.468 1.00 0.00 C ATOM 244 OE1 GLN A 15 44.077 -26.853 18.618 1.00 0.00 O ATOM 245 NE2 GLN A 15 42.580 -27.786 19.922 1.00 0.00 N ATOM 0 H GLN A 15 42.632 -22.866 18.593 1.00 0.00 H new ATOM 0 HA GLN A 15 42.038 -25.336 17.411 1.00 0.00 H new ATOM 0 HB2 GLN A 15 41.123 -23.996 19.986 1.00 0.00 H new ATOM 0 HB3 GLN A 15 40.703 -25.649 19.584 1.00 0.00 H new ATOM 0 HG2 GLN A 15 43.572 -24.626 19.779 1.00 0.00 H new ATOM 0 HG3 GLN A 15 42.723 -25.406 21.098 1.00 0.00 H new ATOM 0 HE21 GLN A 15 41.852 -27.688 20.630 1.00 0.00 H new ATOM 0 HE22 GLN A 15 42.824 -28.710 19.566 1.00 0.00 H new ATOM 254 N SER A 16 39.472 -23.240 17.477 1.00 0.00 N ATOM 255 CA SER A 16 38.142 -22.974 16.908 1.00 0.00 C ATOM 256 C SER A 16 38.148 -23.019 15.373 1.00 0.00 C ATOM 257 O SER A 16 37.256 -23.624 14.780 1.00 0.00 O ATOM 258 CB SER A 16 37.602 -21.619 17.374 1.00 0.00 C ATOM 259 OG SER A 16 37.431 -21.593 18.781 1.00 0.00 O ATOM 0 H SER A 16 39.863 -22.447 17.986 1.00 0.00 H new ATOM 0 HA SER A 16 37.489 -23.768 17.271 1.00 0.00 H new ATOM 0 HB2 SER A 16 38.289 -20.828 17.074 1.00 0.00 H new ATOM 0 HB3 SER A 16 36.649 -21.416 16.885 1.00 0.00 H new ATOM 0 HG SER A 16 38.307 -21.536 19.216 1.00 0.00 H new ATOM 265 N LEU A 17 39.152 -22.425 14.711 1.00 0.00 N ATOM 266 CA LEU A 17 39.276 -22.465 13.248 1.00 0.00 C ATOM 267 C LEU A 17 39.613 -23.888 12.768 1.00 0.00 C ATOM 268 O LEU A 17 39.028 -24.356 11.794 1.00 0.00 O ATOM 269 CB LEU A 17 40.302 -21.415 12.778 1.00 0.00 C ATOM 270 CG LEU A 17 40.441 -21.276 11.245 1.00 0.00 C ATOM 271 CD1 LEU A 17 39.127 -21.013 10.496 1.00 0.00 C ATOM 272 CD2 LEU A 17 41.386 -20.117 10.925 1.00 0.00 C ATOM 0 H LEU A 17 39.898 -21.905 15.174 1.00 0.00 H new ATOM 0 HA LEU A 17 38.319 -22.207 12.794 1.00 0.00 H new ATOM 0 HB2 LEU A 17 40.023 -20.446 13.191 1.00 0.00 H new ATOM 0 HB3 LEU A 17 41.277 -21.670 13.194 1.00 0.00 H new ATOM 0 HG LEU A 17 40.818 -22.241 10.906 1.00 0.00 H new ATOM 0 HD11 LEU A 17 39.327 -20.931 9.428 1.00 0.00 H new ATOM 0 HD12 LEU A 17 38.436 -21.837 10.673 1.00 0.00 H new ATOM 0 HD13 LEU A 17 38.683 -20.084 10.855 1.00 0.00 H new ATOM 0 HD21 LEU A 17 41.486 -20.017 9.844 1.00 0.00 H new ATOM 0 HD22 LEU A 17 40.982 -19.193 11.339 1.00 0.00 H new ATOM 0 HD23 LEU A 17 42.365 -20.314 11.363 1.00 0.00 H new ATOM 284 N VAL A 18 40.495 -24.608 13.473 1.00 0.00 N ATOM 285 CA VAL A 18 40.834 -26.015 13.183 1.00 0.00 C ATOM 286 C VAL A 18 39.583 -26.898 13.280 1.00 0.00 C ATOM 287 O VAL A 18 39.340 -27.715 12.388 1.00 0.00 O ATOM 288 CB VAL A 18 41.956 -26.510 14.121 1.00 0.00 C ATOM 289 CG1 VAL A 18 42.101 -28.035 14.106 1.00 0.00 C ATOM 290 CG2 VAL A 18 43.309 -25.911 13.718 1.00 0.00 C ATOM 0 H VAL A 18 41.002 -24.228 14.272 1.00 0.00 H new ATOM 0 HA VAL A 18 41.209 -26.082 12.162 1.00 0.00 H new ATOM 0 HB VAL A 18 41.671 -26.187 15.122 1.00 0.00 H new ATOM 0 HG11 VAL A 18 42.903 -28.331 14.782 1.00 0.00 H new ATOM 0 HG12 VAL A 18 41.166 -28.493 14.430 1.00 0.00 H new ATOM 0 HG13 VAL A 18 42.337 -28.368 13.095 1.00 0.00 H new ATOM 0 HG21 VAL A 18 44.083 -26.274 14.393 1.00 0.00 H new ATOM 0 HG22 VAL A 18 43.549 -26.208 12.697 1.00 0.00 H new ATOM 0 HG23 VAL A 18 43.258 -24.824 13.777 1.00 0.00 H new ATOM 300 N HIS A 19 38.763 -26.722 14.323 1.00 0.00 N ATOM 301 CA HIS A 19 37.480 -27.417 14.476 1.00 0.00 C ATOM 302 C HIS A 19 36.575 -27.082 13.278 1.00 0.00 C ATOM 303 O HIS A 19 36.133 -27.990 12.577 1.00 0.00 O ATOM 304 CB HIS A 19 36.825 -27.032 15.819 1.00 0.00 C ATOM 305 CG HIS A 19 35.432 -27.593 16.043 1.00 0.00 C ATOM 306 ND1 HIS A 19 35.062 -28.546 16.967 1.00 0.00 N ATOM 307 CD2 HIS A 19 34.280 -27.200 15.410 1.00 0.00 C ATOM 308 CE1 HIS A 19 33.727 -28.720 16.882 1.00 0.00 C ATOM 309 NE2 HIS A 19 33.196 -27.921 15.936 1.00 0.00 N ATOM 0 H HIS A 19 38.974 -26.086 15.092 1.00 0.00 H new ATOM 0 HA HIS A 19 37.638 -28.495 14.491 1.00 0.00 H new ATOM 0 HB2 HIS A 19 37.470 -27.370 16.630 1.00 0.00 H new ATOM 0 HB3 HIS A 19 36.776 -25.945 15.883 1.00 0.00 H new ATOM 0 HD2 HIS A 19 34.217 -26.455 14.631 1.00 0.00 H new ATOM 0 HE1 HIS A 19 33.159 -29.408 17.491 1.00 0.00 H new ATOM 0 HE2 HIS A 19 32.216 -27.854 15.661 1.00 0.00 H new ATOM 317 N ALA A 20 36.346 -25.794 12.999 1.00 0.00 N ATOM 318 CA ALA A 20 35.515 -25.318 11.892 1.00 0.00 C ATOM 319 C ALA A 20 35.930 -25.846 10.506 1.00 0.00 C ATOM 320 O ALA A 20 35.070 -26.076 9.656 1.00 0.00 O ATOM 321 CB ALA A 20 35.524 -23.790 11.921 1.00 0.00 C ATOM 0 H ALA A 20 36.745 -25.036 13.552 1.00 0.00 H new ATOM 0 HA ALA A 20 34.510 -25.713 12.041 1.00 0.00 H new ATOM 0 HB1 ALA A 20 34.911 -23.407 11.105 1.00 0.00 H new ATOM 0 HB2 ALA A 20 35.121 -23.442 12.872 1.00 0.00 H new ATOM 0 HB3 ALA A 20 36.546 -23.430 11.807 1.00 0.00 H new ATOM 327 N CYS A 21 37.229 -26.066 10.270 1.00 0.00 N ATOM 328 CA CYS A 21 37.746 -26.624 9.015 1.00 0.00 C ATOM 329 C CYS A 21 37.326 -28.094 8.796 1.00 0.00 C ATOM 330 O CYS A 21 37.240 -28.552 7.654 1.00 0.00 O ATOM 331 CB CYS A 21 39.274 -26.472 9.001 1.00 0.00 C ATOM 332 SG CYS A 21 39.691 -24.721 8.747 1.00 0.00 S ATOM 0 H CYS A 21 37.958 -25.859 10.952 1.00 0.00 H new ATOM 0 HA CYS A 21 37.309 -26.067 8.186 1.00 0.00 H new ATOM 0 HB2 CYS A 21 39.696 -26.827 9.941 1.00 0.00 H new ATOM 0 HB3 CYS A 21 39.706 -27.081 8.207 1.00 0.00 H new ATOM 0 HG CYS A 21 39.549 -24.074 9.866 1.00 0.00 H new ATOM 338 N GLN A 22 37.016 -28.828 9.871 1.00 0.00 N ATOM 339 CA GLN A 22 36.570 -30.228 9.848 1.00 0.00 C ATOM 340 C GLN A 22 35.044 -30.330 10.012 1.00 0.00 C ATOM 341 O GLN A 22 34.406 -31.212 9.430 1.00 0.00 O ATOM 342 CB GLN A 22 37.266 -30.986 10.991 1.00 0.00 C ATOM 343 CG GLN A 22 38.797 -31.023 10.852 1.00 0.00 C ATOM 344 CD GLN A 22 39.459 -31.457 12.154 1.00 0.00 C ATOM 345 OE1 GLN A 22 39.672 -32.632 12.424 1.00 0.00 O ATOM 346 NE2 GLN A 22 39.802 -30.519 13.011 1.00 0.00 N ATOM 0 H GLN A 22 37.071 -28.450 10.817 1.00 0.00 H new ATOM 0 HA GLN A 22 36.833 -30.666 8.885 1.00 0.00 H new ATOM 0 HB2 GLN A 22 37.005 -30.518 11.940 1.00 0.00 H new ATOM 0 HB3 GLN A 22 36.886 -32.007 11.025 1.00 0.00 H new ATOM 0 HG2 GLN A 22 39.076 -31.710 10.053 1.00 0.00 H new ATOM 0 HG3 GLN A 22 39.163 -30.037 10.566 1.00 0.00 H new ATOM 0 HE21 GLN A 22 39.627 -29.539 12.791 1.00 0.00 H new ATOM 0 HE22 GLN A 22 40.243 -30.772 13.895 1.00 0.00 H new ATOM 355 N CYS A 23 34.468 -29.413 10.792 1.00 0.00 N ATOM 356 CA CYS A 23 33.048 -29.293 11.078 1.00 0.00 C ATOM 357 C CYS A 23 32.252 -28.783 9.860 1.00 0.00 C ATOM 358 O CYS A 23 32.800 -28.171 8.938 1.00 0.00 O ATOM 359 CB CYS A 23 32.908 -28.381 12.305 1.00 0.00 C ATOM 360 SG CYS A 23 31.263 -28.536 13.042 1.00 0.00 S ATOM 0 H CYS A 23 35.017 -28.696 11.265 1.00 0.00 H new ATOM 0 HA CYS A 23 32.619 -30.271 11.296 1.00 0.00 H new ATOM 0 HB2 CYS A 23 33.667 -28.639 13.043 1.00 0.00 H new ATOM 0 HB3 CYS A 23 33.085 -27.345 12.015 1.00 0.00 H new ATOM 0 HG CYS A 23 30.728 -29.663 12.677 1.00 0.00 H new ATOM 365 N ARG A 24 30.939 -29.036 9.853 1.00 0.00 N ATOM 366 CA ARG A 24 30.010 -28.683 8.755 1.00 0.00 C ATOM 367 C ARG A 24 28.680 -28.074 9.216 1.00 0.00 C ATOM 368 O ARG A 24 27.942 -27.532 8.393 1.00 0.00 O ATOM 369 CB ARG A 24 29.754 -29.945 7.908 1.00 0.00 C ATOM 370 CG ARG A 24 31.007 -30.577 7.262 1.00 0.00 C ATOM 371 CD ARG A 24 31.696 -29.666 6.234 1.00 0.00 C ATOM 372 NE ARG A 24 32.940 -30.271 5.713 1.00 0.00 N ATOM 373 CZ ARG A 24 34.189 -29.932 5.997 1.00 0.00 C ATOM 374 NH1 ARG A 24 34.502 -29.022 6.873 1.00 0.00 N ATOM 375 NH2 ARG A 24 35.185 -30.509 5.389 1.00 0.00 N ATOM 0 H ARG A 24 30.472 -29.505 10.629 1.00 0.00 H new ATOM 0 HA ARG A 24 30.492 -27.899 8.170 1.00 0.00 H new ATOM 0 HB2 ARG A 24 29.275 -30.694 8.539 1.00 0.00 H new ATOM 0 HB3 ARG A 24 29.047 -29.694 7.118 1.00 0.00 H new ATOM 0 HG2 ARG A 24 31.721 -30.831 8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 24 30.723 -31.510 6.775 1.00 0.00 H new ATOM 0 HD2 ARG A 24 31.013 -29.469 5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 24 31.924 -28.705 6.695 1.00 0.00 H new ATOM 0 HE ARG A 24 32.823 -31.042 5.056 1.00 0.00 H new ATOM 0 HH11 ARG A 24 33.768 -28.529 7.381 1.00 0.00 H new ATOM 0 HH12 ARG A 24 35.482 -28.802 7.051 1.00 0.00 H new ATOM 0 HH21 ARG A 24 35.007 -31.228 4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 24 36.143 -30.242 5.614 1.00 0.00 H new ATOM 389 N ASN A 25 28.376 -28.137 10.514 1.00 0.00 N ATOM 390 CA ASN A 25 27.158 -27.579 11.116 1.00 0.00 C ATOM 391 C ASN A 25 27.048 -26.057 10.877 1.00 0.00 C ATOM 392 O ASN A 25 27.891 -25.302 11.370 1.00 0.00 O ATOM 393 CB ASN A 25 27.178 -27.833 12.636 1.00 0.00 C ATOM 394 CG ASN A 25 27.279 -29.280 13.075 1.00 0.00 C ATOM 395 OD1 ASN A 25 26.624 -30.172 12.550 1.00 0.00 O ATOM 396 ND2 ASN A 25 28.106 -29.548 14.057 1.00 0.00 N ATOM 0 H ASN A 25 28.985 -28.589 11.196 1.00 0.00 H new ATOM 0 HA ASN A 25 26.303 -28.068 10.649 1.00 0.00 H new ATOM 0 HB2 ASN A 25 28.019 -27.287 13.063 1.00 0.00 H new ATOM 0 HB3 ASN A 25 26.271 -27.408 13.066 1.00 0.00 H new ATOM 0 HD21 ASN A 25 28.208 -30.507 14.390 1.00 0.00 H new ATOM 0 HD22 ASN A 25 28.647 -28.798 14.487 1.00 0.00 H new ATOM 403 N ALA A 26 26.014 -25.581 10.179 1.00 0.00 N ATOM 404 CA ALA A 26 25.787 -24.142 9.957 1.00 0.00 C ATOM 405 C ALA A 26 25.524 -23.359 11.261 1.00 0.00 C ATOM 406 O ALA A 26 25.755 -22.145 11.318 1.00 0.00 O ATOM 407 CB ALA A 26 24.619 -23.987 8.974 1.00 0.00 C ATOM 0 H ALA A 26 25.308 -26.179 9.750 1.00 0.00 H new ATOM 0 HA ALA A 26 26.698 -23.711 9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 26 24.433 -22.928 8.794 1.00 0.00 H new ATOM 0 HB2 ALA A 26 24.868 -24.476 8.032 1.00 0.00 H new ATOM 0 HB3 ALA A 26 23.725 -24.446 9.396 1.00 0.00 H new ATOM 413 N ASN A 27 25.054 -24.059 12.301 1.00 0.00 N ATOM 414 CA ASN A 27 24.699 -23.537 13.622 1.00 0.00 C ATOM 415 C ASN A 27 25.322 -24.393 14.758 1.00 0.00 C ATOM 416 O ASN A 27 24.641 -24.720 15.734 1.00 0.00 O ATOM 417 CB ASN A 27 23.158 -23.437 13.731 1.00 0.00 C ATOM 418 CG ASN A 27 22.440 -22.729 12.587 1.00 0.00 C ATOM 419 OD1 ASN A 27 21.413 -23.181 12.101 1.00 0.00 O ATOM 420 ND2 ASN A 27 22.940 -21.615 12.100 1.00 0.00 N ATOM 0 H ASN A 27 24.903 -25.066 12.236 1.00 0.00 H new ATOM 0 HA ASN A 27 25.116 -22.537 13.741 1.00 0.00 H new ATOM 0 HB2 ASN A 27 22.756 -24.447 13.814 1.00 0.00 H new ATOM 0 HB3 ASN A 27 22.914 -22.920 14.659 1.00 0.00 H new ATOM 0 HD21 ASN A 27 22.472 -21.141 11.328 1.00 0.00 H new ATOM 0 HD22 ASN A 27 23.796 -21.225 12.494 1.00 0.00 H new ATOM 427 N CYS A 28 26.600 -24.791 14.618 1.00 0.00 N ATOM 428 CA CYS A 28 27.345 -25.604 15.592 1.00 0.00 C ATOM 429 C CYS A 28 27.237 -25.049 17.027 1.00 0.00 C ATOM 430 O CYS A 28 27.156 -23.834 17.228 1.00 0.00 O ATOM 431 CB CYS A 28 28.816 -25.675 15.150 1.00 0.00 C ATOM 432 SG CYS A 28 29.621 -27.176 15.796 1.00 0.00 S ATOM 0 H CYS A 28 27.157 -24.548 13.799 1.00 0.00 H new ATOM 0 HA CYS A 28 26.907 -26.602 15.614 1.00 0.00 H new ATOM 0 HB2 CYS A 28 28.873 -25.667 14.062 1.00 0.00 H new ATOM 0 HB3 CYS A 28 29.348 -24.792 15.503 1.00 0.00 H new ATOM 0 HG CYS A 28 30.268 -27.769 14.837 1.00 0.00 H new ATOM 437 N SER A 29 27.239 -25.914 18.044 1.00 0.00 N ATOM 438 CA SER A 29 27.104 -25.476 19.445 1.00 0.00 C ATOM 439 C SER A 29 28.232 -24.562 19.956 1.00 0.00 C ATOM 440 O SER A 29 28.034 -23.860 20.953 1.00 0.00 O ATOM 441 CB SER A 29 26.909 -26.670 20.388 1.00 0.00 C ATOM 442 OG SER A 29 28.068 -27.490 20.459 1.00 0.00 O ATOM 0 H SER A 29 27.332 -26.923 17.929 1.00 0.00 H new ATOM 0 HA SER A 29 26.207 -24.857 19.450 1.00 0.00 H new ATOM 0 HB2 SER A 29 26.661 -26.307 21.385 1.00 0.00 H new ATOM 0 HB3 SER A 29 26.063 -27.267 20.046 1.00 0.00 H new ATOM 0 HG SER A 29 27.903 -28.238 21.071 1.00 0.00 H new ATOM 448 N LEU A 30 29.379 -24.503 19.268 1.00 0.00 N ATOM 449 CA LEU A 30 30.465 -23.574 19.594 1.00 0.00 C ATOM 450 C LEU A 30 30.174 -22.200 18.951 1.00 0.00 C ATOM 451 O LEU A 30 29.925 -22.133 17.743 1.00 0.00 O ATOM 452 CB LEU A 30 31.817 -24.126 19.103 1.00 0.00 C ATOM 453 CG LEU A 30 32.471 -25.157 20.039 1.00 0.00 C ATOM 454 CD1 LEU A 30 33.760 -25.673 19.396 1.00 0.00 C ATOM 455 CD2 LEU A 30 32.843 -24.556 21.401 1.00 0.00 C ATOM 0 H LEU A 30 29.579 -25.101 18.467 1.00 0.00 H new ATOM 0 HA LEU A 30 30.523 -23.458 20.676 1.00 0.00 H new ATOM 0 HB2 LEU A 30 31.673 -24.584 18.125 1.00 0.00 H new ATOM 0 HB3 LEU A 30 32.506 -23.292 18.966 1.00 0.00 H new ATOM 0 HG LEU A 30 31.745 -25.955 20.194 1.00 0.00 H new ATOM 0 HD11 LEU A 30 34.228 -26.404 20.055 1.00 0.00 H new ATOM 0 HD12 LEU A 30 33.527 -26.143 18.440 1.00 0.00 H new ATOM 0 HD13 LEU A 30 34.444 -24.840 19.234 1.00 0.00 H new ATOM 0 HD21 LEU A 30 33.301 -25.324 22.025 1.00 0.00 H new ATOM 0 HD22 LEU A 30 33.548 -23.737 21.257 1.00 0.00 H new ATOM 0 HD23 LEU A 30 31.945 -24.180 21.890 1.00 0.00 H new ATOM 467 N PRO A 31 30.223 -21.091 19.717 1.00 0.00 N ATOM 468 CA PRO A 31 29.944 -19.755 19.187 1.00 0.00 C ATOM 469 C PRO A 31 30.951 -19.328 18.110 1.00 0.00 C ATOM 470 O PRO A 31 30.565 -18.728 17.104 1.00 0.00 O ATOM 471 CB PRO A 31 29.957 -18.822 20.406 1.00 0.00 C ATOM 472 CG PRO A 31 30.818 -19.560 21.432 1.00 0.00 C ATOM 473 CD PRO A 31 30.528 -21.026 21.139 1.00 0.00 C ATOM 0 HA PRO A 31 28.982 -19.725 18.676 1.00 0.00 H new ATOM 0 HB2 PRO A 31 30.379 -17.848 20.158 1.00 0.00 H new ATOM 0 HB3 PRO A 31 28.950 -18.646 20.784 1.00 0.00 H new ATOM 0 HG2 PRO A 31 31.876 -19.327 21.312 1.00 0.00 H new ATOM 0 HG3 PRO A 31 30.546 -19.292 22.453 1.00 0.00 H new ATOM 0 HD2 PRO A 31 31.386 -21.651 21.384 1.00 0.00 H new ATOM 0 HD3 PRO A 31 29.690 -21.386 21.736 1.00 0.00 H new ATOM 481 N SER A 32 32.237 -19.652 18.294 1.00 0.00 N ATOM 482 CA SER A 32 33.291 -19.313 17.332 1.00 0.00 C ATOM 483 C SER A 32 33.195 -20.139 16.045 1.00 0.00 C ATOM 484 O SER A 32 33.335 -19.570 14.972 1.00 0.00 O ATOM 485 CB SER A 32 34.682 -19.473 17.953 1.00 0.00 C ATOM 486 OG SER A 32 34.758 -18.792 19.196 1.00 0.00 O ATOM 0 H SER A 32 32.575 -20.156 19.114 1.00 0.00 H new ATOM 0 HA SER A 32 33.139 -18.267 17.067 1.00 0.00 H new ATOM 0 HB2 SER A 32 34.901 -20.531 18.098 1.00 0.00 H new ATOM 0 HB3 SER A 32 35.437 -19.082 17.271 1.00 0.00 H new ATOM 0 HG SER A 32 35.653 -18.907 19.578 1.00 0.00 H new ATOM 492 N CYS A 33 32.921 -21.446 16.113 1.00 0.00 N ATOM 493 CA CYS A 33 32.769 -22.345 14.956 1.00 0.00 C ATOM 494 C CYS A 33 31.800 -21.780 13.892 1.00 0.00 C ATOM 495 O CYS A 33 32.142 -21.687 12.706 1.00 0.00 O ATOM 496 CB CYS A 33 32.328 -23.716 15.508 1.00 0.00 C ATOM 497 SG CYS A 33 32.113 -24.985 14.223 1.00 0.00 S ATOM 0 H CYS A 33 32.794 -21.927 17.004 1.00 0.00 H new ATOM 0 HA CYS A 33 33.715 -22.446 14.424 1.00 0.00 H new ATOM 0 HB2 CYS A 33 33.068 -24.063 16.229 1.00 0.00 H new ATOM 0 HB3 CYS A 33 31.389 -23.596 16.048 1.00 0.00 H new ATOM 0 HG CYS A 33 31.343 -25.931 14.672 1.00 0.00 H new ATOM 502 N GLN A 34 30.623 -21.302 14.325 1.00 0.00 N ATOM 503 CA GLN A 34 29.636 -20.655 13.449 1.00 0.00 C ATOM 504 C GLN A 34 30.220 -19.445 12.692 1.00 0.00 C ATOM 505 O GLN A 34 29.895 -19.225 11.522 1.00 0.00 O ATOM 506 CB GLN A 34 28.420 -20.183 14.268 1.00 0.00 C ATOM 507 CG GLN A 34 27.620 -21.314 14.936 1.00 0.00 C ATOM 508 CD GLN A 34 26.353 -20.804 15.637 1.00 0.00 C ATOM 509 OE1 GLN A 34 25.712 -19.847 15.223 1.00 0.00 O ATOM 510 NE2 GLN A 34 25.910 -21.430 16.706 1.00 0.00 N ATOM 0 H GLN A 34 30.328 -21.354 15.300 1.00 0.00 H new ATOM 0 HA GLN A 34 29.336 -21.404 12.716 1.00 0.00 H new ATOM 0 HB2 GLN A 34 28.764 -19.494 15.040 1.00 0.00 H new ATOM 0 HB3 GLN A 34 27.753 -19.622 13.613 1.00 0.00 H new ATOM 0 HG2 GLN A 34 27.343 -22.052 14.183 1.00 0.00 H new ATOM 0 HG3 GLN A 34 28.254 -21.823 15.663 1.00 0.00 H new ATOM 0 HE21 GLN A 34 26.421 -22.231 17.076 1.00 0.00 H new ATOM 0 HE22 GLN A 34 25.055 -21.114 17.164 1.00 0.00 H new ATOM 519 N LYS A 35 31.096 -18.671 13.343 1.00 0.00 N ATOM 520 CA LYS A 35 31.759 -17.484 12.792 1.00 0.00 C ATOM 521 C LYS A 35 32.927 -17.874 11.885 1.00 0.00 C ATOM 522 O LYS A 35 33.024 -17.373 10.771 1.00 0.00 O ATOM 523 CB LYS A 35 32.195 -16.617 13.990 1.00 0.00 C ATOM 524 CG LYS A 35 32.681 -15.205 13.641 1.00 0.00 C ATOM 525 CD LYS A 35 33.049 -14.474 14.948 1.00 0.00 C ATOM 526 CE LYS A 35 33.470 -13.015 14.723 1.00 0.00 C ATOM 527 NZ LYS A 35 32.334 -12.142 14.321 1.00 0.00 N ATOM 0 H LYS A 35 31.373 -18.862 14.306 1.00 0.00 H new ATOM 0 HA LYS A 35 31.083 -16.913 12.156 1.00 0.00 H new ATOM 0 HB2 LYS A 35 31.355 -16.533 14.680 1.00 0.00 H new ATOM 0 HB3 LYS A 35 32.993 -17.136 14.521 1.00 0.00 H new ATOM 0 HG2 LYS A 35 33.546 -15.255 12.979 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.903 -14.658 13.108 1.00 0.00 H new ATOM 0 HD2 LYS A 35 32.195 -14.499 15.625 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.861 -15.009 15.440 1.00 0.00 H new ATOM 0 HE2 LYS A 35 33.916 -12.625 15.638 1.00 0.00 H new ATOM 0 HE3 LYS A 35 34.240 -12.979 13.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 32.670 -11.422 13.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 31.596 -12.719 13.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 31.941 -11.674 15.163 1.00 0.00 H new ATOM 541 N MET A 36 33.767 -18.815 12.315 1.00 0.00 N ATOM 542 CA MET A 36 34.914 -19.337 11.562 1.00 0.00 C ATOM 543 C MET A 36 34.505 -19.885 10.190 1.00 0.00 C ATOM 544 O MET A 36 35.167 -19.604 9.190 1.00 0.00 O ATOM 545 CB MET A 36 35.607 -20.426 12.390 1.00 0.00 C ATOM 546 CG MET A 36 36.306 -19.886 13.638 1.00 0.00 C ATOM 547 SD MET A 36 37.640 -18.715 13.270 1.00 0.00 S ATOM 548 CE MET A 36 38.460 -18.683 14.878 1.00 0.00 C ATOM 0 H MET A 36 33.666 -19.253 13.231 1.00 0.00 H new ATOM 0 HA MET A 36 35.604 -18.513 11.379 1.00 0.00 H new ATOM 0 HB2 MET A 36 34.869 -21.170 12.689 1.00 0.00 H new ATOM 0 HB3 MET A 36 36.339 -20.937 11.765 1.00 0.00 H new ATOM 0 HG2 MET A 36 35.569 -19.396 14.274 1.00 0.00 H new ATOM 0 HG3 MET A 36 36.714 -20.722 14.207 1.00 0.00 H new ATOM 0 HE1 MET A 36 39.400 -18.137 14.796 1.00 0.00 H new ATOM 0 HE2 MET A 36 37.815 -18.190 15.605 1.00 0.00 H new ATOM 0 HE3 MET A 36 38.661 -19.703 15.204 1.00 0.00 H new ATOM 558 N LYS A 37 33.382 -20.613 10.121 1.00 0.00 N ATOM 559 CA LYS A 37 32.821 -21.113 8.856 1.00 0.00 C ATOM 560 C LYS A 37 32.454 -19.964 7.919 1.00 0.00 C ATOM 561 O LYS A 37 32.815 -19.994 6.746 1.00 0.00 O ATOM 562 CB LYS A 37 31.592 -21.989 9.142 1.00 0.00 C ATOM 563 CG LYS A 37 32.021 -23.365 9.662 1.00 0.00 C ATOM 564 CD LYS A 37 30.845 -24.102 10.299 1.00 0.00 C ATOM 565 CE LYS A 37 31.317 -25.481 10.758 1.00 0.00 C ATOM 566 NZ LYS A 37 30.566 -25.912 11.945 1.00 0.00 N ATOM 0 H LYS A 37 32.835 -20.873 10.942 1.00 0.00 H new ATOM 0 HA LYS A 37 33.581 -21.715 8.357 1.00 0.00 H new ATOM 0 HB2 LYS A 37 30.953 -21.500 9.877 1.00 0.00 H new ATOM 0 HB3 LYS A 37 31.002 -22.105 8.233 1.00 0.00 H new ATOM 0 HG2 LYS A 37 32.424 -23.958 8.841 1.00 0.00 H new ATOM 0 HG3 LYS A 37 32.820 -23.248 10.394 1.00 0.00 H new ATOM 0 HD2 LYS A 37 30.458 -23.535 11.146 1.00 0.00 H new ATOM 0 HD3 LYS A 37 30.030 -24.202 9.583 1.00 0.00 H new ATOM 0 HE2 LYS A 37 31.184 -26.204 9.953 1.00 0.00 H new ATOM 0 HE3 LYS A 37 32.383 -25.450 10.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 30.567 -26.951 11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 31.012 -25.521 12.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 29.586 -25.570 11.879 1.00 0.00 H new ATOM 580 N ARG A 38 31.788 -18.920 8.429 1.00 0.00 N ATOM 581 CA ARG A 38 31.403 -17.736 7.640 1.00 0.00 C ATOM 582 C ARG A 38 32.637 -16.952 7.172 1.00 0.00 C ATOM 583 O ARG A 38 32.663 -16.490 6.034 1.00 0.00 O ATOM 584 CB ARG A 38 30.387 -16.905 8.447 1.00 0.00 C ATOM 585 CG ARG A 38 29.045 -17.663 8.525 1.00 0.00 C ATOM 586 CD ARG A 38 28.088 -17.099 9.582 1.00 0.00 C ATOM 587 NE ARG A 38 26.772 -17.775 9.538 1.00 0.00 N ATOM 588 CZ ARG A 38 26.452 -18.977 9.995 1.00 0.00 C ATOM 589 NH1 ARG A 38 27.291 -19.760 10.604 1.00 0.00 N ATOM 590 NH2 ARG A 38 25.251 -19.452 9.847 1.00 0.00 N ATOM 0 H ARG A 38 31.498 -18.870 9.406 1.00 0.00 H new ATOM 0 HA ARG A 38 30.907 -18.038 6.718 1.00 0.00 H new ATOM 0 HB2 ARG A 38 30.770 -16.718 9.450 1.00 0.00 H new ATOM 0 HB3 ARG A 38 30.241 -15.933 7.976 1.00 0.00 H new ATOM 0 HG2 ARG A 38 28.559 -17.628 7.550 1.00 0.00 H new ATOM 0 HG3 ARG A 38 29.241 -18.712 8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 38 28.527 -17.219 10.573 1.00 0.00 H new ATOM 0 HD3 ARG A 38 27.954 -16.029 9.420 1.00 0.00 H new ATOM 0 HE ARG A 38 26.016 -17.249 9.100 1.00 0.00 H new ATOM 0 HH11 ARG A 38 28.254 -19.459 10.752 1.00 0.00 H new ATOM 0 HH12 ARG A 38 26.986 -20.676 10.934 1.00 0.00 H new ATOM 0 HH21 ARG A 38 24.538 -18.897 9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 38 25.022 -20.379 10.205 1.00 0.00 H new ATOM 604 N VAL A 39 33.682 -16.869 8.001 1.00 0.00 N ATOM 605 CA VAL A 39 34.971 -16.236 7.662 1.00 0.00 C ATOM 606 C VAL A 39 35.681 -16.982 6.527 1.00 0.00 C ATOM 607 O VAL A 39 36.019 -16.359 5.519 1.00 0.00 O ATOM 608 CB VAL A 39 35.893 -16.160 8.894 1.00 0.00 C ATOM 609 CG1 VAL A 39 37.293 -15.634 8.566 1.00 0.00 C ATOM 610 CG2 VAL A 39 35.338 -15.203 9.941 1.00 0.00 C ATOM 0 H VAL A 39 33.660 -17.247 8.948 1.00 0.00 H new ATOM 0 HA VAL A 39 34.751 -15.223 7.324 1.00 0.00 H new ATOM 0 HB VAL A 39 35.947 -17.186 9.257 1.00 0.00 H new ATOM 0 HG11 VAL A 39 37.893 -15.605 9.476 1.00 0.00 H new ATOM 0 HG12 VAL A 39 37.768 -16.293 7.839 1.00 0.00 H new ATOM 0 HG13 VAL A 39 37.216 -14.630 8.150 1.00 0.00 H new ATOM 0 HG21 VAL A 39 36.011 -15.171 10.798 1.00 0.00 H new ATOM 0 HG22 VAL A 39 35.250 -14.205 9.512 1.00 0.00 H new ATOM 0 HG23 VAL A 39 34.355 -15.547 10.264 1.00 0.00 H new ATOM 620 N VAL A 40 35.897 -18.302 6.647 1.00 0.00 N ATOM 621 CA VAL A 40 36.571 -19.065 5.579 1.00 0.00 C ATOM 622 C VAL A 40 35.744 -19.027 4.283 1.00 0.00 C ATOM 623 O VAL A 40 36.303 -18.778 3.219 1.00 0.00 O ATOM 624 CB VAL A 40 36.980 -20.491 6.010 1.00 0.00 C ATOM 625 CG1 VAL A 40 35.849 -21.522 6.004 1.00 0.00 C ATOM 626 CG2 VAL A 40 38.105 -21.003 5.101 1.00 0.00 C ATOM 0 H VAL A 40 35.621 -18.857 7.457 1.00 0.00 H new ATOM 0 HA VAL A 40 37.519 -18.570 5.371 1.00 0.00 H new ATOM 0 HB VAL A 40 37.300 -20.391 7.047 1.00 0.00 H new ATOM 0 HG11 VAL A 40 36.237 -22.490 6.321 1.00 0.00 H new ATOM 0 HG12 VAL A 40 35.063 -21.204 6.689 1.00 0.00 H new ATOM 0 HG13 VAL A 40 35.440 -21.607 4.997 1.00 0.00 H new ATOM 0 HG21 VAL A 40 38.391 -22.009 5.408 1.00 0.00 H new ATOM 0 HG22 VAL A 40 37.757 -21.024 4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 40 38.967 -20.341 5.180 1.00 0.00 H new ATOM 636 N GLN A 41 34.413 -19.195 4.361 1.00 0.00 N ATOM 637 CA GLN A 41 33.485 -19.089 3.223 1.00 0.00 C ATOM 638 C GLN A 41 33.585 -17.724 2.525 1.00 0.00 C ATOM 639 O GLN A 41 33.630 -17.679 1.295 1.00 0.00 O ATOM 640 CB GLN A 41 32.035 -19.308 3.685 1.00 0.00 C ATOM 641 CG GLN A 41 31.674 -20.775 3.965 1.00 0.00 C ATOM 642 CD GLN A 41 31.468 -21.562 2.675 1.00 0.00 C ATOM 643 OE1 GLN A 41 30.441 -21.482 2.013 1.00 0.00 O ATOM 644 NE2 GLN A 41 32.440 -22.344 2.261 1.00 0.00 N ATOM 0 H GLN A 41 33.941 -19.414 5.239 1.00 0.00 H new ATOM 0 HA GLN A 41 33.770 -19.864 2.511 1.00 0.00 H new ATOM 0 HB2 GLN A 41 31.863 -18.725 4.590 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.361 -18.920 2.922 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.467 -21.239 4.552 1.00 0.00 H new ATOM 0 HG3 GLN A 41 30.766 -20.818 4.566 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.300 -22.419 2.804 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.334 -22.876 1.397 1.00 0.00 H new ATOM 653 N HIS A 42 33.656 -16.623 3.287 1.00 0.00 N ATOM 654 CA HIS A 42 33.857 -15.285 2.723 1.00 0.00 C ATOM 655 C HIS A 42 35.157 -15.264 1.904 1.00 0.00 C ATOM 656 O HIS A 42 35.135 -14.961 0.710 1.00 0.00 O ATOM 657 CB HIS A 42 33.868 -14.201 3.829 1.00 0.00 C ATOM 658 CG HIS A 42 34.597 -12.941 3.404 1.00 0.00 C ATOM 659 ND1 HIS A 42 34.109 -11.950 2.581 1.00 0.00 N ATOM 660 CD2 HIS A 42 35.956 -12.760 3.474 1.00 0.00 C ATOM 661 CE1 HIS A 42 35.153 -11.231 2.131 1.00 0.00 C ATOM 662 NE2 HIS A 42 36.306 -11.714 2.619 1.00 0.00 N ATOM 0 H HIS A 42 33.576 -16.636 4.304 1.00 0.00 H new ATOM 0 HA HIS A 42 33.022 -15.053 2.063 1.00 0.00 H new ATOM 0 HB2 HIS A 42 32.842 -13.950 4.096 1.00 0.00 H new ATOM 0 HB3 HIS A 42 34.341 -14.605 4.724 1.00 0.00 H new ATOM 0 HD1 HIS A 42 33.128 -11.790 2.353 1.00 0.00 H new ATOM 0 HD2 HIS A 42 36.638 -13.330 4.087 1.00 0.00 H new ATOM 0 HE1 HIS A 42 35.074 -10.382 1.468 1.00 0.00 H new ATOM 670 N THR A 43 36.285 -15.619 2.525 1.00 0.00 N ATOM 671 CA THR A 43 37.604 -15.586 1.882 1.00 0.00 C ATOM 672 C THR A 43 37.675 -16.464 0.637 1.00 0.00 C ATOM 673 O THR A 43 38.247 -16.043 -0.371 1.00 0.00 O ATOM 674 CB THR A 43 38.693 -15.940 2.897 1.00 0.00 C ATOM 675 OG1 THR A 43 38.817 -14.864 3.785 1.00 0.00 O ATOM 676 CG2 THR A 43 40.053 -16.207 2.257 1.00 0.00 C ATOM 0 H THR A 43 36.310 -15.939 3.493 1.00 0.00 H new ATOM 0 HA THR A 43 37.776 -14.568 1.532 1.00 0.00 H new ATOM 0 HB THR A 43 38.394 -16.861 3.398 1.00 0.00 H new ATOM 0 HG1 THR A 43 38.845 -14.025 3.280 1.00 0.00 H new ATOM 0 HG21 THR A 43 40.778 -16.452 3.033 1.00 0.00 H new ATOM 0 HG22 THR A 43 39.970 -17.042 1.561 1.00 0.00 H new ATOM 0 HG23 THR A 43 40.383 -15.318 1.719 1.00 0.00 H new ATOM 684 N LYS A 44 37.040 -17.643 0.686 1.00 0.00 N ATOM 685 CA LYS A 44 36.914 -18.624 -0.405 1.00 0.00 C ATOM 686 C LYS A 44 36.215 -18.082 -1.666 1.00 0.00 C ATOM 687 O LYS A 44 36.313 -18.710 -2.721 1.00 0.00 O ATOM 688 CB LYS A 44 36.188 -19.870 0.147 1.00 0.00 C ATOM 689 CG LYS A 44 37.139 -20.860 0.834 1.00 0.00 C ATOM 690 CD LYS A 44 36.332 -21.933 1.588 1.00 0.00 C ATOM 691 CE LYS A 44 37.213 -23.082 2.105 1.00 0.00 C ATOM 692 NZ LYS A 44 37.666 -23.984 1.009 1.00 0.00 N ATOM 0 H LYS A 44 36.573 -17.957 1.537 1.00 0.00 H new ATOM 0 HA LYS A 44 37.920 -18.877 -0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 44 35.425 -19.554 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 44 35.673 -20.376 -0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 44 37.783 -21.333 0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 44 37.790 -20.329 1.528 1.00 0.00 H new ATOM 0 HD2 LYS A 44 35.816 -21.470 2.429 1.00 0.00 H new ATOM 0 HD3 LYS A 44 35.566 -22.337 0.927 1.00 0.00 H new ATOM 0 HE2 LYS A 44 38.083 -22.669 2.615 1.00 0.00 H new ATOM 0 HE3 LYS A 44 36.656 -23.661 2.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 38.257 -24.743 1.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 36.838 -24.400 0.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 38.220 -23.439 0.318 1.00 0.00 H new ATOM 706 N GLY A 45 35.537 -16.932 -1.580 1.00 0.00 N ATOM 707 CA GLY A 45 34.840 -16.271 -2.694 1.00 0.00 C ATOM 708 C GLY A 45 35.141 -14.770 -2.852 1.00 0.00 C ATOM 709 O GLY A 45 34.644 -14.154 -3.799 1.00 0.00 O ATOM 0 H GLY A 45 35.454 -16.417 -0.704 1.00 0.00 H new ATOM 0 HA2 GLY A 45 35.106 -16.779 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.766 -16.398 -2.557 1.00 0.00 H new ATOM 713 N CYS A 46 35.935 -14.172 -1.956 1.00 0.00 N ATOM 714 CA CYS A 46 36.308 -12.758 -1.984 1.00 0.00 C ATOM 715 C CYS A 46 37.260 -12.421 -3.146 1.00 0.00 C ATOM 716 O CYS A 46 37.970 -13.281 -3.682 1.00 0.00 O ATOM 717 CB CYS A 46 36.801 -12.406 -0.571 1.00 0.00 C ATOM 718 SG CYS A 46 37.929 -10.978 -0.430 1.00 0.00 S ATOM 0 H CYS A 46 36.346 -14.675 -1.170 1.00 0.00 H new ATOM 0 HA CYS A 46 35.459 -12.114 -2.212 1.00 0.00 H new ATOM 0 HB2 CYS A 46 35.930 -12.215 0.056 1.00 0.00 H new ATOM 0 HB3 CYS A 46 37.305 -13.280 -0.159 1.00 0.00 H new ATOM 0 HG CYS A 46 37.963 -10.572 0.804 1.00 0.00 H new ATOM 723 N LYS A 47 37.261 -11.140 -3.525 1.00 0.00 N ATOM 724 CA LYS A 47 38.062 -10.540 -4.604 1.00 0.00 C ATOM 725 C LYS A 47 38.989 -9.427 -4.088 1.00 0.00 C ATOM 726 O LYS A 47 39.671 -8.786 -4.892 1.00 0.00 O ATOM 727 CB LYS A 47 37.120 -10.024 -5.714 1.00 0.00 C ATOM 728 CG LYS A 47 36.205 -11.090 -6.352 1.00 0.00 C ATOM 729 CD LYS A 47 36.936 -12.259 -7.040 1.00 0.00 C ATOM 730 CE LYS A 47 37.896 -11.842 -8.167 1.00 0.00 C ATOM 731 NZ LYS A 47 37.180 -11.276 -9.343 1.00 0.00 N ATOM 0 H LYS A 47 36.669 -10.451 -3.062 1.00 0.00 H new ATOM 0 HA LYS A 47 38.714 -11.309 -5.018 1.00 0.00 H new ATOM 0 HB2 LYS A 47 36.494 -9.234 -5.298 1.00 0.00 H new ATOM 0 HB3 LYS A 47 37.725 -9.571 -6.500 1.00 0.00 H new ATOM 0 HG2 LYS A 47 35.553 -11.496 -5.578 1.00 0.00 H new ATOM 0 HG3 LYS A 47 35.563 -10.602 -7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 47 37.499 -12.811 -6.287 1.00 0.00 H new ATOM 0 HD3 LYS A 47 36.193 -12.944 -7.449 1.00 0.00 H new ATOM 0 HE2 LYS A 47 38.601 -11.104 -7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 47 38.479 -12.707 -8.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 37.870 -11.010 -10.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 36.525 -11.987 -9.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 36.644 -10.434 -9.051 1.00 0.00 H new ATOM 745 N ARG A 48 39.042 -9.204 -2.766 1.00 0.00 N ATOM 746 CA ARG A 48 39.889 -8.200 -2.112 1.00 0.00 C ATOM 747 C ARG A 48 41.187 -8.843 -1.601 1.00 0.00 C ATOM 748 O ARG A 48 42.254 -8.479 -2.096 1.00 0.00 O ATOM 749 CB ARG A 48 39.115 -7.566 -0.943 1.00 0.00 C ATOM 750 CG ARG A 48 37.794 -6.870 -1.263 1.00 0.00 C ATOM 751 CD ARG A 48 37.157 -6.256 -0.002 1.00 0.00 C ATOM 752 NE ARG A 48 36.912 -7.251 1.065 1.00 0.00 N ATOM 753 CZ ARG A 48 36.012 -7.212 2.027 1.00 0.00 C ATOM 754 NH1 ARG A 48 35.167 -6.234 2.192 1.00 0.00 N ATOM 755 NH2 ARG A 48 35.954 -8.172 2.890 1.00 0.00 N ATOM 0 H ARG A 48 38.478 -9.736 -2.103 1.00 0.00 H new ATOM 0 HA ARG A 48 40.152 -7.428 -2.835 1.00 0.00 H new ATOM 0 HB2 ARG A 48 38.914 -8.348 -0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 48 39.770 -6.839 -0.462 1.00 0.00 H new ATOM 0 HG2 ARG A 48 37.964 -6.088 -2.003 1.00 0.00 H new ATOM 0 HG3 ARG A 48 37.103 -7.586 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 48 37.809 -5.472 0.383 1.00 0.00 H new ATOM 0 HD3 ARG A 48 36.214 -5.782 -0.272 1.00 0.00 H new ATOM 0 HE ARG A 48 37.517 -8.072 1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 48 35.178 -5.437 1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 48 34.494 -6.265 2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 48 36.603 -8.956 2.825 1.00 0.00 H new ATOM 0 HH22 ARG A 48 35.259 -8.146 3.636 1.00 0.00 H new ATOM 769 N LYS A 49 41.090 -9.787 -0.649 1.00 0.00 N ATOM 770 CA LYS A 49 42.186 -10.494 0.059 1.00 0.00 C ATOM 771 C LYS A 49 43.369 -9.634 0.552 1.00 0.00 C ATOM 772 O LYS A 49 43.368 -8.405 0.441 1.00 0.00 O ATOM 773 CB LYS A 49 42.568 -11.847 -0.595 1.00 0.00 C ATOM 774 CG LYS A 49 42.388 -12.029 -2.110 1.00 0.00 C ATOM 775 CD LYS A 49 40.964 -12.431 -2.536 1.00 0.00 C ATOM 776 CE LYS A 49 40.438 -13.711 -1.866 1.00 0.00 C ATOM 777 NZ LYS A 49 39.649 -13.441 -0.640 1.00 0.00 N ATOM 0 H LYS A 49 40.176 -10.104 -0.325 1.00 0.00 H new ATOM 0 HA LYS A 49 41.734 -10.760 1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 49 43.616 -12.037 -0.365 1.00 0.00 H new ATOM 0 HB3 LYS A 49 41.987 -12.625 -0.101 1.00 0.00 H new ATOM 0 HG2 LYS A 49 42.655 -11.098 -2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 49 43.087 -12.789 -2.458 1.00 0.00 H new ATOM 0 HD2 LYS A 49 40.284 -11.610 -2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 49 40.946 -12.568 -3.617 1.00 0.00 H new ATOM 0 HE2 LYS A 49 39.819 -14.258 -2.577 1.00 0.00 H new ATOM 0 HE3 LYS A 49 41.280 -14.355 -1.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 38.943 -14.193 -0.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 40.284 -13.415 0.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 39.166 -12.525 -0.733 1.00 0.00 H new ATOM 791 N THR A 50 44.404 -10.261 1.126 1.00 0.00 N ATOM 792 CA THR A 50 45.621 -9.564 1.599 1.00 0.00 C ATOM 793 C THR A 50 46.370 -8.867 0.454 1.00 0.00 C ATOM 794 O THR A 50 47.053 -7.865 0.670 1.00 0.00 O ATOM 795 CB THR A 50 46.597 -10.506 2.326 1.00 0.00 C ATOM 796 OG1 THR A 50 47.207 -11.390 1.417 1.00 0.00 O ATOM 797 CG2 THR A 50 45.936 -11.374 3.393 1.00 0.00 C ATOM 0 H THR A 50 44.427 -11.269 1.279 1.00 0.00 H new ATOM 0 HA THR A 50 45.264 -8.815 2.305 1.00 0.00 H new ATOM 0 HB THR A 50 47.317 -9.841 2.803 1.00 0.00 H new ATOM 0 HG1 THR A 50 48.071 -11.682 1.775 1.00 0.00 H new ATOM 0 HG21 THR A 50 46.687 -12.010 3.861 1.00 0.00 H new ATOM 0 HG22 THR A 50 45.479 -10.736 4.149 1.00 0.00 H new ATOM 0 HG23 THR A 50 45.169 -11.996 2.932 1.00 0.00 H new ATOM 805 N ASN A 51 46.207 -9.374 -0.775 1.00 0.00 N ATOM 806 CA ASN A 51 46.791 -8.852 -2.012 1.00 0.00 C ATOM 807 C ASN A 51 46.153 -7.513 -2.469 1.00 0.00 C ATOM 808 O ASN A 51 46.673 -6.878 -3.391 1.00 0.00 O ATOM 809 CB ASN A 51 46.669 -9.962 -3.085 1.00 0.00 C ATOM 810 CG ASN A 51 47.798 -9.997 -4.112 1.00 0.00 C ATOM 811 OD1 ASN A 51 48.370 -11.042 -4.398 1.00 0.00 O ATOM 812 ND2 ASN A 51 48.145 -8.886 -4.722 1.00 0.00 N ATOM 0 H ASN A 51 45.634 -10.202 -0.939 1.00 0.00 H new ATOM 0 HA ASN A 51 47.839 -8.604 -1.844 1.00 0.00 H new ATOM 0 HB2 ASN A 51 46.626 -10.928 -2.582 1.00 0.00 H new ATOM 0 HB3 ASN A 51 45.723 -9.834 -3.612 1.00 0.00 H new ATOM 0 HD21 ASN A 51 48.884 -8.900 -5.425 1.00 0.00 H new ATOM 0 HD22 ASN A 51 47.676 -8.010 -4.492 1.00 0.00 H new ATOM 819 N GLY A 52 45.043 -7.081 -1.854 1.00 0.00 N ATOM 820 CA GLY A 52 44.321 -5.844 -2.193 1.00 0.00 C ATOM 821 C GLY A 52 43.953 -4.958 -0.993 1.00 0.00 C ATOM 822 O GLY A 52 43.991 -3.732 -1.126 1.00 0.00 O ATOM 0 H GLY A 52 44.610 -7.595 -1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 52 44.933 -5.261 -2.882 1.00 0.00 H new ATOM 0 HA3 GLY A 52 43.407 -6.109 -2.724 1.00 0.00 H new ATOM 826 N GLY A 53 43.637 -5.536 0.176 1.00 0.00 N ATOM 827 CA GLY A 53 43.338 -4.778 1.407 1.00 0.00 C ATOM 828 C GLY A 53 42.176 -5.276 2.285 1.00 0.00 C ATOM 829 O GLY A 53 41.800 -4.565 3.221 1.00 0.00 O ATOM 0 H GLY A 53 43.581 -6.547 0.298 1.00 0.00 H new ATOM 0 HA2 GLY A 53 44.239 -4.763 2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 53 43.127 -3.747 1.124 1.00 0.00 H new ATOM 833 N CYS A 54 41.592 -6.446 2.006 1.00 0.00 N ATOM 834 CA CYS A 54 40.469 -7.016 2.757 1.00 0.00 C ATOM 835 C CYS A 54 40.711 -7.116 4.280 1.00 0.00 C ATOM 836 O CYS A 54 41.736 -7.680 4.692 1.00 0.00 O ATOM 837 CB CYS A 54 40.265 -8.414 2.195 1.00 0.00 C ATOM 838 SG CYS A 54 38.736 -9.174 2.777 1.00 0.00 S ATOM 0 H CYS A 54 41.895 -7.037 1.232 1.00 0.00 H new ATOM 0 HA CYS A 54 39.604 -6.363 2.643 1.00 0.00 H new ATOM 0 HB2 CYS A 54 40.252 -8.366 1.106 1.00 0.00 H new ATOM 0 HB3 CYS A 54 41.110 -9.043 2.477 1.00 0.00 H new ATOM 0 HG CYS A 54 38.821 -10.466 2.658 1.00 0.00 H new ATOM 843 N PRO A 55 39.800 -6.616 5.140 1.00 0.00 N ATOM 844 CA PRO A 55 39.966 -6.734 6.581 1.00 0.00 C ATOM 845 C PRO A 55 39.617 -8.148 7.071 1.00 0.00 C ATOM 846 O PRO A 55 40.183 -8.583 8.071 1.00 0.00 O ATOM 847 CB PRO A 55 39.015 -5.692 7.175 1.00 0.00 C ATOM 848 CG PRO A 55 37.852 -5.698 6.185 1.00 0.00 C ATOM 849 CD PRO A 55 38.550 -5.931 4.836 1.00 0.00 C ATOM 0 HA PRO A 55 40.999 -6.564 6.885 1.00 0.00 H new ATOM 0 HB2 PRO A 55 38.693 -5.964 8.180 1.00 0.00 H new ATOM 0 HB3 PRO A 55 39.483 -4.710 7.245 1.00 0.00 H new ATOM 0 HG2 PRO A 55 37.134 -6.487 6.410 1.00 0.00 H new ATOM 0 HG3 PRO A 55 37.305 -4.755 6.199 1.00 0.00 H new ATOM 0 HD2 PRO A 55 37.927 -6.532 4.174 1.00 0.00 H new ATOM 0 HD3 PRO A 55 38.738 -4.986 4.326 1.00 0.00 H new ATOM 857 N VAL A 56 38.719 -8.877 6.387 1.00 0.00 N ATOM 858 CA VAL A 56 38.304 -10.231 6.787 1.00 0.00 C ATOM 859 C VAL A 56 39.376 -11.254 6.429 1.00 0.00 C ATOM 860 O VAL A 56 39.827 -11.967 7.331 1.00 0.00 O ATOM 861 CB VAL A 56 36.949 -10.652 6.189 1.00 0.00 C ATOM 862 CG1 VAL A 56 36.522 -12.000 6.792 1.00 0.00 C ATOM 863 CG2 VAL A 56 35.827 -9.643 6.480 1.00 0.00 C ATOM 0 H VAL A 56 38.260 -8.543 5.540 1.00 0.00 H new ATOM 0 HA VAL A 56 38.177 -10.202 7.869 1.00 0.00 H new ATOM 0 HB VAL A 56 37.091 -10.711 5.110 1.00 0.00 H new ATOM 0 HG11 VAL A 56 35.563 -12.300 6.370 1.00 0.00 H new ATOM 0 HG12 VAL A 56 37.272 -12.756 6.561 1.00 0.00 H new ATOM 0 HG13 VAL A 56 36.428 -11.901 7.873 1.00 0.00 H new ATOM 0 HG21 VAL A 56 34.897 -9.994 6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 56 35.697 -9.544 7.558 1.00 0.00 H new ATOM 0 HG23 VAL A 56 36.090 -8.674 6.056 1.00 0.00 H new ATOM 873 N CYS A 57 39.819 -11.308 5.168 1.00 0.00 N ATOM 874 CA CYS A 57 40.876 -12.214 4.738 1.00 0.00 C ATOM 875 C CYS A 57 42.145 -12.026 5.584 1.00 0.00 C ATOM 876 O CYS A 57 42.662 -12.988 6.152 1.00 0.00 O ATOM 877 CB CYS A 57 41.158 -11.987 3.255 1.00 0.00 C ATOM 878 SG CYS A 57 39.806 -12.579 2.189 1.00 0.00 S ATOM 0 H CYS A 57 39.450 -10.721 4.420 1.00 0.00 H new ATOM 0 HA CYS A 57 40.547 -13.243 4.883 1.00 0.00 H new ATOM 0 HB2 CYS A 57 41.317 -10.923 3.077 1.00 0.00 H new ATOM 0 HB3 CYS A 57 42.082 -12.497 2.982 1.00 0.00 H new ATOM 0 HG CYS A 57 39.499 -11.657 1.325 1.00 0.00 H new ATOM 883 N LYS A 58 42.635 -10.788 5.744 1.00 0.00 N ATOM 884 CA LYS A 58 43.816 -10.532 6.586 1.00 0.00 C ATOM 885 C LYS A 58 43.651 -11.055 8.026 1.00 0.00 C ATOM 886 O LYS A 58 44.646 -11.439 8.642 1.00 0.00 O ATOM 887 CB LYS A 58 44.171 -9.032 6.620 1.00 0.00 C ATOM 888 CG LYS A 58 44.822 -8.536 5.318 1.00 0.00 C ATOM 889 CD LYS A 58 45.084 -7.021 5.296 1.00 0.00 C ATOM 890 CE LYS A 58 46.125 -6.591 6.339 1.00 0.00 C ATOM 891 NZ LYS A 58 46.387 -5.129 6.281 1.00 0.00 N ATOM 0 H LYS A 58 42.238 -9.956 5.308 1.00 0.00 H new ATOM 0 HA LYS A 58 44.633 -11.085 6.123 1.00 0.00 H new ATOM 0 HB2 LYS A 58 43.266 -8.455 6.809 1.00 0.00 H new ATOM 0 HB3 LYS A 58 44.849 -8.844 7.453 1.00 0.00 H new ATOM 0 HG2 LYS A 58 45.766 -9.061 5.171 1.00 0.00 H new ATOM 0 HG3 LYS A 58 44.178 -8.797 4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 58 45.426 -6.729 4.303 1.00 0.00 H new ATOM 0 HD3 LYS A 58 44.149 -6.491 5.480 1.00 0.00 H new ATOM 0 HE2 LYS A 58 45.774 -6.859 7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 58 47.055 -7.135 6.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 47.095 -4.874 6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 46.745 -4.878 5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 45.505 -4.611 6.466 1.00 0.00 H new ATOM 905 N GLN A 59 42.424 -11.104 8.561 1.00 0.00 N ATOM 906 CA GLN A 59 42.156 -11.570 9.923 1.00 0.00 C ATOM 907 C GLN A 59 42.416 -13.074 10.094 1.00 0.00 C ATOM 908 O GLN A 59 43.222 -13.433 10.956 1.00 0.00 O ATOM 909 CB GLN A 59 40.733 -11.179 10.372 1.00 0.00 C ATOM 910 CG GLN A 59 40.699 -10.746 11.852 1.00 0.00 C ATOM 911 CD GLN A 59 41.318 -9.365 12.116 1.00 0.00 C ATOM 912 OE1 GLN A 59 41.953 -8.744 11.276 1.00 0.00 O ATOM 913 NE2 GLN A 59 41.157 -8.812 13.299 1.00 0.00 N ATOM 0 H GLN A 59 41.585 -10.819 8.055 1.00 0.00 H new ATOM 0 HA GLN A 59 42.864 -11.064 10.579 1.00 0.00 H new ATOM 0 HB2 GLN A 59 40.365 -10.366 9.747 1.00 0.00 H new ATOM 0 HB3 GLN A 59 40.060 -12.024 10.225 1.00 0.00 H new ATOM 0 HG2 GLN A 59 39.664 -10.740 12.194 1.00 0.00 H new ATOM 0 HG3 GLN A 59 41.227 -11.489 12.449 1.00 0.00 H new ATOM 0 HE21 GLN A 59 40.633 -9.302 14.024 1.00 0.00 H new ATOM 0 HE22 GLN A 59 41.557 -7.893 13.491 1.00 0.00 H new ATOM 922 N LEU A 60 41.815 -13.957 9.274 1.00 0.00 N ATOM 923 CA LEU A 60 42.141 -15.393 9.365 1.00 0.00 C ATOM 924 C LEU A 60 43.582 -15.657 8.936 1.00 0.00 C ATOM 925 O LEU A 60 44.194 -16.583 9.450 1.00 0.00 O ATOM 926 CB LEU A 60 41.191 -16.365 8.627 1.00 0.00 C ATOM 927 CG LEU A 60 41.270 -16.465 7.094 1.00 0.00 C ATOM 928 CD1 LEU A 60 40.672 -17.786 6.601 1.00 0.00 C ATOM 929 CD2 LEU A 60 40.503 -15.341 6.431 1.00 0.00 C ATOM 0 H LEU A 60 41.124 -13.714 8.564 1.00 0.00 H new ATOM 0 HA LEU A 60 42.001 -15.615 10.423 1.00 0.00 H new ATOM 0 HB2 LEU A 60 41.362 -17.363 9.031 1.00 0.00 H new ATOM 0 HB3 LEU A 60 40.169 -16.087 8.886 1.00 0.00 H new ATOM 0 HG LEU A 60 42.326 -16.404 6.831 1.00 0.00 H new ATOM 0 HD11 LEU A 60 40.740 -17.833 5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 60 41.224 -18.620 7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 60 39.626 -17.847 6.902 1.00 0.00 H new ATOM 0 HD21 LEU A 60 40.578 -15.439 5.348 1.00 0.00 H new ATOM 0 HD22 LEU A 60 39.456 -15.390 6.729 1.00 0.00 H new ATOM 0 HD23 LEU A 60 40.923 -14.383 6.738 1.00 0.00 H new ATOM 941 N ILE A 61 44.136 -14.867 8.014 1.00 0.00 N ATOM 942 CA ILE A 61 45.513 -15.041 7.547 1.00 0.00 C ATOM 943 C ILE A 61 46.522 -14.802 8.665 1.00 0.00 C ATOM 944 O ILE A 61 47.442 -15.608 8.797 1.00 0.00 O ATOM 945 CB ILE A 61 45.728 -14.209 6.267 1.00 0.00 C ATOM 946 CG1 ILE A 61 44.940 -14.836 5.105 1.00 0.00 C ATOM 947 CG2 ILE A 61 47.182 -14.050 5.795 1.00 0.00 C ATOM 948 CD1 ILE A 61 45.298 -16.291 4.849 1.00 0.00 C ATOM 0 H ILE A 61 43.644 -14.091 7.571 1.00 0.00 H new ATOM 0 HA ILE A 61 45.690 -16.079 7.265 1.00 0.00 H new ATOM 0 HB ILE A 61 45.381 -13.213 6.541 1.00 0.00 H new ATOM 0 HG12 ILE A 61 43.873 -14.764 5.318 1.00 0.00 H new ATOM 0 HG13 ILE A 61 45.123 -14.259 4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 61 47.206 -13.446 4.888 1.00 0.00 H new ATOM 0 HG22 ILE A 61 47.766 -13.558 6.573 1.00 0.00 H new ATOM 0 HG23 ILE A 61 47.607 -15.032 5.589 1.00 0.00 H new ATOM 0 HD11 ILE A 61 44.705 -16.670 4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 61 46.358 -16.367 4.605 1.00 0.00 H new ATOM 0 HD13 ILE A 61 45.088 -16.880 5.742 1.00 0.00 H new ATOM 960 N ALA A 62 46.333 -13.797 9.526 1.00 0.00 N ATOM 961 CA ALA A 62 47.193 -13.611 10.701 1.00 0.00 C ATOM 962 C ALA A 62 47.116 -14.865 11.592 1.00 0.00 C ATOM 963 O ALA A 62 48.129 -15.468 11.952 1.00 0.00 O ATOM 964 CB ALA A 62 46.733 -12.351 11.456 1.00 0.00 C ATOM 0 H ALA A 62 45.594 -13.100 9.432 1.00 0.00 H new ATOM 0 HA ALA A 62 48.232 -13.475 10.402 1.00 0.00 H new ATOM 0 HB1 ALA A 62 47.364 -12.201 12.332 1.00 0.00 H new ATOM 0 HB2 ALA A 62 46.812 -11.484 10.799 1.00 0.00 H new ATOM 0 HB3 ALA A 62 45.697 -12.474 11.772 1.00 0.00 H new ATOM 970 N LEU A 63 45.883 -15.277 11.888 1.00 0.00 N ATOM 971 CA LEU A 63 45.528 -16.442 12.701 1.00 0.00 C ATOM 972 C LEU A 63 46.174 -17.742 12.176 1.00 0.00 C ATOM 973 O LEU A 63 46.773 -18.504 12.937 1.00 0.00 O ATOM 974 CB LEU A 63 43.983 -16.481 12.736 1.00 0.00 C ATOM 975 CG LEU A 63 43.393 -16.752 14.125 1.00 0.00 C ATOM 976 CD1 LEU A 63 41.975 -16.180 14.206 1.00 0.00 C ATOM 977 CD2 LEU A 63 43.348 -18.248 14.398 1.00 0.00 C ATOM 0 H LEU A 63 45.060 -14.780 11.549 1.00 0.00 H new ATOM 0 HA LEU A 63 45.921 -16.359 13.714 1.00 0.00 H new ATOM 0 HB2 LEU A 63 43.598 -15.529 12.369 1.00 0.00 H new ATOM 0 HB3 LEU A 63 43.634 -17.252 12.049 1.00 0.00 H new ATOM 0 HG LEU A 63 44.026 -16.272 14.872 1.00 0.00 H new ATOM 0 HD11 LEU A 63 41.560 -16.375 15.195 1.00 0.00 H new ATOM 0 HD12 LEU A 63 42.006 -15.105 14.031 1.00 0.00 H new ATOM 0 HD13 LEU A 63 41.348 -16.653 13.450 1.00 0.00 H new ATOM 0 HD21 LEU A 63 42.927 -18.425 15.388 1.00 0.00 H new ATOM 0 HD22 LEU A 63 42.727 -18.736 13.647 1.00 0.00 H new ATOM 0 HD23 LEU A 63 44.358 -18.656 14.355 1.00 0.00 H new ATOM 989 N CYS A 64 46.103 -17.969 10.862 1.00 0.00 N ATOM 990 CA CYS A 64 46.701 -19.114 10.181 1.00 0.00 C ATOM 991 C CYS A 64 48.233 -19.015 10.134 1.00 0.00 C ATOM 992 O CYS A 64 48.890 -20.036 10.297 1.00 0.00 O ATOM 993 CB CYS A 64 46.127 -19.250 8.763 1.00 0.00 C ATOM 994 SG CYS A 64 44.359 -19.649 8.813 1.00 0.00 S ATOM 0 H CYS A 64 45.612 -17.341 10.226 1.00 0.00 H new ATOM 0 HA CYS A 64 46.449 -20.007 10.754 1.00 0.00 H new ATOM 0 HB2 CYS A 64 46.278 -18.320 8.215 1.00 0.00 H new ATOM 0 HB3 CYS A 64 46.664 -20.029 8.223 1.00 0.00 H new ATOM 0 HG CYS A 64 43.678 -18.571 9.064 1.00 0.00 H new ATOM 1000 N CYS A 65 48.824 -17.824 9.963 1.00 0.00 N ATOM 1001 CA CYS A 65 50.283 -17.639 9.997 1.00 0.00 C ATOM 1002 C CYS A 65 50.855 -18.001 11.373 1.00 0.00 C ATOM 1003 O CYS A 65 51.882 -18.672 11.449 1.00 0.00 O ATOM 1004 CB CYS A 65 50.659 -16.209 9.597 1.00 0.00 C ATOM 1005 SG CYS A 65 50.407 -15.984 7.816 1.00 0.00 S ATOM 0 H CYS A 65 48.305 -16.962 9.797 1.00 0.00 H new ATOM 0 HA CYS A 65 50.726 -18.318 9.269 1.00 0.00 H new ATOM 0 HB2 CYS A 65 50.052 -15.494 10.153 1.00 0.00 H new ATOM 0 HB3 CYS A 65 51.700 -16.011 9.854 1.00 0.00 H new ATOM 0 HG CYS A 65 50.234 -14.722 7.558 1.00 0.00 H new ATOM 1011 N TYR A 66 50.171 -17.612 12.454 1.00 0.00 N ATOM 1012 CA TYR A 66 50.555 -17.952 13.827 1.00 0.00 C ATOM 1013 C TYR A 66 50.590 -19.479 14.030 1.00 0.00 C ATOM 1014 O TYR A 66 51.538 -20.013 14.607 1.00 0.00 O ATOM 1015 CB TYR A 66 49.559 -17.294 14.786 1.00 0.00 C ATOM 1016 CG TYR A 66 50.070 -17.054 16.193 1.00 0.00 C ATOM 1017 CD1 TYR A 66 50.666 -15.818 16.503 1.00 0.00 C ATOM 1018 CD2 TYR A 66 49.864 -18.006 17.208 1.00 0.00 C ATOM 1019 CE1 TYR A 66 50.940 -15.481 17.840 1.00 0.00 C ATOM 1020 CE2 TYR A 66 50.175 -17.691 18.545 1.00 0.00 C ATOM 1021 CZ TYR A 66 50.691 -16.418 18.866 1.00 0.00 C ATOM 1022 OH TYR A 66 50.953 -16.101 20.162 1.00 0.00 O ATOM 0 H TYR A 66 49.325 -17.045 12.399 1.00 0.00 H new ATOM 0 HA TYR A 66 51.560 -17.580 14.029 1.00 0.00 H new ATOM 0 HB2 TYR A 66 49.250 -16.338 14.362 1.00 0.00 H new ATOM 0 HB3 TYR A 66 48.668 -17.920 14.843 1.00 0.00 H new ATOM 0 HD1 TYR A 66 50.914 -15.126 15.712 1.00 0.00 H new ATOM 0 HD2 TYR A 66 49.467 -18.980 16.962 1.00 0.00 H new ATOM 0 HE1 TYR A 66 51.340 -14.507 18.082 1.00 0.00 H new ATOM 0 HE2 TYR A 66 50.019 -18.423 19.323 1.00 0.00 H new ATOM 0 HH TYR A 66 50.722 -16.860 20.737 1.00 0.00 H new ATOM 1032 N HIS A 67 49.581 -20.189 13.511 1.00 0.00 N ATOM 1033 CA HIS A 67 49.506 -21.649 13.552 1.00 0.00 C ATOM 1034 C HIS A 67 50.583 -22.300 12.654 1.00 0.00 C ATOM 1035 O HIS A 67 51.414 -23.068 13.143 1.00 0.00 O ATOM 1036 CB HIS A 67 48.088 -22.091 13.146 1.00 0.00 C ATOM 1037 CG HIS A 67 47.974 -23.584 12.980 1.00 0.00 C ATOM 1038 ND1 HIS A 67 47.827 -24.518 13.985 1.00 0.00 N ATOM 1039 CD2 HIS A 67 48.206 -24.276 11.820 1.00 0.00 C ATOM 1040 CE1 HIS A 67 48.001 -25.739 13.445 1.00 0.00 C ATOM 1041 NE2 HIS A 67 48.238 -25.640 12.127 1.00 0.00 N ATOM 0 H HIS A 67 48.784 -19.756 13.045 1.00 0.00 H new ATOM 0 HA HIS A 67 49.708 -21.987 14.568 1.00 0.00 H new ATOM 0 HB2 HIS A 67 47.377 -21.757 13.902 1.00 0.00 H new ATOM 0 HB3 HIS A 67 47.812 -21.603 12.211 1.00 0.00 H new ATOM 0 HD2 HIS A 67 48.341 -23.843 10.840 1.00 0.00 H new ATOM 0 HE1 HIS A 67 47.956 -26.668 13.995 1.00 0.00 H new ATOM 0 HE2 HIS A 67 48.408 -26.408 11.478 1.00 0.00 H new ATOM 1049 N ALA A 68 50.596 -21.976 11.355 1.00 0.00 N ATOM 1050 CA ALA A 68 51.519 -22.520 10.356 1.00 0.00 C ATOM 1051 C ALA A 68 53.008 -22.318 10.705 1.00 0.00 C ATOM 1052 O ALA A 68 53.838 -23.150 10.328 1.00 0.00 O ATOM 1053 CB ALA A 68 51.149 -21.943 8.983 1.00 0.00 C ATOM 0 H ALA A 68 49.940 -21.303 10.958 1.00 0.00 H new ATOM 0 HA ALA A 68 51.403 -23.604 10.339 1.00 0.00 H new ATOM 0 HB1 ALA A 68 51.828 -22.339 8.227 1.00 0.00 H new ATOM 0 HB2 ALA A 68 50.126 -22.224 8.734 1.00 0.00 H new ATOM 0 HB3 ALA A 68 51.231 -20.856 9.011 1.00 0.00 H new ATOM 1059 N LYS A 69 53.356 -21.260 11.459 1.00 0.00 N ATOM 1060 CA LYS A 69 54.722 -21.012 11.955 1.00 0.00 C ATOM 1061 C LYS A 69 55.236 -22.171 12.814 1.00 0.00 C ATOM 1062 O LYS A 69 56.388 -22.582 12.656 1.00 0.00 O ATOM 1063 CB LYS A 69 54.766 -19.697 12.767 1.00 0.00 C ATOM 1064 CG LYS A 69 55.422 -18.549 11.990 1.00 0.00 C ATOM 1065 CD LYS A 69 55.520 -17.263 12.830 1.00 0.00 C ATOM 1066 CE LYS A 69 56.553 -16.286 12.246 1.00 0.00 C ATOM 1067 NZ LYS A 69 57.957 -16.717 12.494 1.00 0.00 N ATOM 0 H LYS A 69 52.688 -20.544 11.745 1.00 0.00 H new ATOM 0 HA LYS A 69 55.374 -20.926 11.086 1.00 0.00 H new ATOM 0 HB2 LYS A 69 53.751 -19.411 13.044 1.00 0.00 H new ATOM 0 HB3 LYS A 69 55.315 -19.864 13.694 1.00 0.00 H new ATOM 0 HG2 LYS A 69 56.420 -18.851 11.672 1.00 0.00 H new ATOM 0 HG3 LYS A 69 54.847 -18.348 11.086 1.00 0.00 H new ATOM 0 HD2 LYS A 69 54.544 -16.780 12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 69 55.795 -17.516 13.854 1.00 0.00 H new ATOM 0 HE2 LYS A 69 56.391 -16.191 11.172 1.00 0.00 H new ATOM 0 HE3 LYS A 69 56.399 -15.298 12.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 58.610 -15.968 12.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 58.091 -16.897 13.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 58.152 -17.588 11.960 1.00 0.00 H new ATOM 1081 N HIS A 70 54.393 -22.709 13.697 1.00 0.00 N ATOM 1082 CA HIS A 70 54.714 -23.844 14.572 1.00 0.00 C ATOM 1083 C HIS A 70 54.382 -25.217 13.955 1.00 0.00 C ATOM 1084 O HIS A 70 55.066 -26.201 14.258 1.00 0.00 O ATOM 1085 CB HIS A 70 53.986 -23.659 15.912 1.00 0.00 C ATOM 1086 CG HIS A 70 54.433 -22.430 16.667 1.00 0.00 C ATOM 1087 ND1 HIS A 70 55.673 -22.229 17.236 1.00 0.00 N ATOM 1088 CD2 HIS A 70 53.691 -21.307 16.917 1.00 0.00 C ATOM 1089 CE1 HIS A 70 55.679 -21.014 17.812 1.00 0.00 C ATOM 1090 NE2 HIS A 70 54.489 -20.412 17.644 1.00 0.00 N ATOM 0 H HIS A 70 53.443 -22.361 13.829 1.00 0.00 H new ATOM 0 HA HIS A 70 55.794 -23.847 14.719 1.00 0.00 H new ATOM 0 HB2 HIS A 70 52.913 -23.595 15.730 1.00 0.00 H new ATOM 0 HB3 HIS A 70 54.152 -24.539 16.533 1.00 0.00 H new ATOM 0 HD2 HIS A 70 52.670 -21.140 16.608 1.00 0.00 H new ATOM 0 HE1 HIS A 70 56.520 -20.583 18.335 1.00 0.00 H new ATOM 0 HE2 HIS A 70 54.220 -19.487 17.979 1.00 0.00 H new ATOM 1098 N CYS A 71 53.348 -25.295 13.108 1.00 0.00 N ATOM 1099 CA CYS A 71 52.900 -26.534 12.466 1.00 0.00 C ATOM 1100 C CYS A 71 53.993 -27.164 11.583 1.00 0.00 C ATOM 1101 O CYS A 71 54.785 -26.472 10.932 1.00 0.00 O ATOM 1102 CB CYS A 71 51.627 -26.260 11.656 1.00 0.00 C ATOM 1103 SG CYS A 71 50.755 -27.811 11.251 1.00 0.00 S ATOM 0 H CYS A 71 52.790 -24.483 12.846 1.00 0.00 H new ATOM 0 HA CYS A 71 52.681 -27.260 13.249 1.00 0.00 H new ATOM 0 HB2 CYS A 71 50.966 -25.606 12.224 1.00 0.00 H new ATOM 0 HB3 CYS A 71 51.884 -25.734 10.737 1.00 0.00 H new ATOM 0 HG CYS A 71 49.766 -27.982 12.078 1.00 0.00 H new ATOM 1108 N GLN A 72 54.017 -28.495 11.548 1.00 0.00 N ATOM 1109 CA GLN A 72 54.976 -29.307 10.790 1.00 0.00 C ATOM 1110 C GLN A 72 54.299 -30.447 9.997 1.00 0.00 C ATOM 1111 O GLN A 72 54.976 -31.229 9.326 1.00 0.00 O ATOM 1112 CB GLN A 72 56.037 -29.844 11.775 1.00 0.00 C ATOM 1113 CG GLN A 72 56.986 -28.750 12.308 1.00 0.00 C ATOM 1114 CD GLN A 72 57.509 -29.073 13.705 1.00 0.00 C ATOM 1115 OE1 GLN A 72 58.333 -29.956 13.910 1.00 0.00 O ATOM 1116 NE2 GLN A 72 57.048 -28.370 14.722 1.00 0.00 N ATOM 0 H GLN A 72 53.345 -29.062 12.065 1.00 0.00 H new ATOM 0 HA GLN A 72 55.452 -28.681 10.036 1.00 0.00 H new ATOM 0 HB2 GLN A 72 55.533 -30.320 12.617 1.00 0.00 H new ATOM 0 HB3 GLN A 72 56.626 -30.615 11.279 1.00 0.00 H new ATOM 0 HG2 GLN A 72 57.827 -28.636 11.624 1.00 0.00 H new ATOM 0 HG3 GLN A 72 56.461 -27.795 12.330 1.00 0.00 H new ATOM 0 HE21 GLN A 72 56.362 -27.632 14.563 1.00 0.00 H new ATOM 0 HE22 GLN A 72 57.378 -28.564 15.667 1.00 0.00 H new ATOM 1125 N GLU A 73 52.966 -30.544 10.041 1.00 0.00 N ATOM 1126 CA GLU A 73 52.170 -31.540 9.314 1.00 0.00 C ATOM 1127 C GLU A 73 51.966 -31.127 7.842 1.00 0.00 C ATOM 1128 O GLU A 73 51.993 -29.937 7.511 1.00 0.00 O ATOM 1129 CB GLU A 73 50.821 -31.683 10.047 1.00 0.00 C ATOM 1130 CG GLU A 73 49.889 -32.815 9.600 1.00 0.00 C ATOM 1131 CD GLU A 73 50.574 -34.186 9.636 1.00 0.00 C ATOM 1132 OE1 GLU A 73 51.293 -34.502 8.660 1.00 0.00 O ATOM 1133 OE2 GLU A 73 50.379 -34.968 10.595 1.00 0.00 O ATOM 0 H GLU A 73 52.393 -29.912 10.601 1.00 0.00 H new ATOM 0 HA GLU A 73 52.691 -32.497 9.296 1.00 0.00 H new ATOM 0 HB2 GLU A 73 51.028 -31.817 11.109 1.00 0.00 H new ATOM 0 HB3 GLU A 73 50.281 -30.742 9.944 1.00 0.00 H new ATOM 0 HG2 GLU A 73 49.010 -32.834 10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 73 49.538 -32.614 8.588 1.00 0.00 H new ATOM 1140 N ASN A 74 51.722 -32.102 6.960 1.00 0.00 N ATOM 1141 CA ASN A 74 51.493 -31.877 5.517 1.00 0.00 C ATOM 1142 C ASN A 74 50.069 -32.233 5.038 1.00 0.00 C ATOM 1143 O ASN A 74 49.752 -32.089 3.856 1.00 0.00 O ATOM 1144 CB ASN A 74 52.605 -32.533 4.677 1.00 0.00 C ATOM 1145 CG ASN A 74 52.581 -34.050 4.642 1.00 0.00 C ATOM 1146 OD1 ASN A 74 53.048 -34.730 5.544 1.00 0.00 O ATOM 1147 ND2 ASN A 74 52.045 -34.634 3.593 1.00 0.00 N ATOM 0 H ASN A 74 51.676 -33.086 7.226 1.00 0.00 H new ATOM 0 HA ASN A 74 51.553 -30.801 5.357 1.00 0.00 H new ATOM 0 HB2 ASN A 74 52.533 -32.161 3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 74 53.570 -32.210 5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 74 52.020 -35.652 3.533 1.00 0.00 H new ATOM 0 HD22 ASN A 74 51.655 -34.069 2.839 1.00 0.00 H new ATOM 1154 N LYS A 75 49.216 -32.690 5.964 1.00 0.00 N ATOM 1155 CA LYS A 75 47.814 -33.103 5.775 1.00 0.00 C ATOM 1156 C LYS A 75 46.836 -32.362 6.713 1.00 0.00 C ATOM 1157 O LYS A 75 45.715 -32.825 6.941 1.00 0.00 O ATOM 1158 CB LYS A 75 47.724 -34.631 5.967 1.00 0.00 C ATOM 1159 CG LYS A 75 48.757 -35.432 5.146 1.00 0.00 C ATOM 1160 CD LYS A 75 49.948 -35.966 5.954 1.00 0.00 C ATOM 1161 CE LYS A 75 49.589 -36.935 7.088 1.00 0.00 C ATOM 1162 NZ LYS A 75 50.768 -37.160 7.964 1.00 0.00 N ATOM 0 H LYS A 75 49.506 -32.789 6.937 1.00 0.00 H new ATOM 0 HA LYS A 75 47.509 -32.832 4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 75 47.858 -34.862 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 75 46.722 -34.962 5.693 1.00 0.00 H new ATOM 0 HG2 LYS A 75 48.251 -36.273 4.673 1.00 0.00 H new ATOM 0 HG3 LYS A 75 49.135 -34.797 4.345 1.00 0.00 H new ATOM 0 HD2 LYS A 75 50.633 -36.469 5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 75 50.487 -35.119 6.379 1.00 0.00 H new ATOM 0 HE2 LYS A 75 48.764 -36.531 7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 75 49.250 -37.884 6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 50.495 -37.763 8.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 51.521 -37.627 7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 51.115 -36.247 8.321 1.00 0.00 H new ATOM 1176 N CYS A 76 47.275 -31.230 7.274 1.00 0.00 N ATOM 1177 CA CYS A 76 46.542 -30.369 8.208 1.00 0.00 C ATOM 1178 C CYS A 76 45.143 -29.978 7.642 1.00 0.00 C ATOM 1179 O CYS A 76 45.037 -29.694 6.441 1.00 0.00 O ATOM 1180 CB CYS A 76 47.466 -29.159 8.477 1.00 0.00 C ATOM 1181 SG CYS A 76 47.251 -28.433 10.131 1.00 0.00 S ATOM 0 H CYS A 76 48.208 -30.869 7.076 1.00 0.00 H new ATOM 0 HA CYS A 76 46.315 -30.876 9.146 1.00 0.00 H new ATOM 0 HB2 CYS A 76 48.504 -29.471 8.358 1.00 0.00 H new ATOM 0 HB3 CYS A 76 47.276 -28.393 7.725 1.00 0.00 H new ATOM 0 HG CYS A 76 48.417 -28.206 10.660 1.00 0.00 H new ATOM 1186 N PRO A 77 44.050 -29.979 8.438 1.00 0.00 N ATOM 1187 CA PRO A 77 42.701 -29.692 7.935 1.00 0.00 C ATOM 1188 C PRO A 77 42.474 -28.239 7.481 1.00 0.00 C ATOM 1189 O PRO A 77 41.596 -27.995 6.652 1.00 0.00 O ATOM 1190 CB PRO A 77 41.750 -30.068 9.074 1.00 0.00 C ATOM 1191 CG PRO A 77 42.604 -29.889 10.327 1.00 0.00 C ATOM 1192 CD PRO A 77 43.994 -30.311 9.854 1.00 0.00 C ATOM 0 HA PRO A 77 42.529 -30.269 7.026 1.00 0.00 H new ATOM 0 HB2 PRO A 77 40.871 -29.423 9.092 1.00 0.00 H new ATOM 0 HB3 PRO A 77 41.392 -31.093 8.976 1.00 0.00 H new ATOM 0 HG2 PRO A 77 42.593 -28.858 10.680 1.00 0.00 H new ATOM 0 HG3 PRO A 77 42.251 -30.511 11.149 1.00 0.00 H new ATOM 0 HD2 PRO A 77 44.772 -29.787 10.409 1.00 0.00 H new ATOM 0 HD3 PRO A 77 44.153 -31.378 10.012 1.00 0.00 H new ATOM 1200 N VAL A 78 43.241 -27.273 7.997 1.00 0.00 N ATOM 1201 CA VAL A 78 43.133 -25.853 7.623 1.00 0.00 C ATOM 1202 C VAL A 78 43.649 -25.666 6.184 1.00 0.00 C ATOM 1203 O VAL A 78 44.798 -26.028 5.913 1.00 0.00 O ATOM 1204 CB VAL A 78 43.921 -24.968 8.610 1.00 0.00 C ATOM 1205 CG1 VAL A 78 43.753 -23.479 8.287 1.00 0.00 C ATOM 1206 CG2 VAL A 78 43.445 -25.172 10.056 1.00 0.00 C ATOM 0 H VAL A 78 43.963 -27.454 8.694 1.00 0.00 H new ATOM 0 HA VAL A 78 42.088 -25.547 7.669 1.00 0.00 H new ATOM 0 HB VAL A 78 44.965 -25.265 8.508 1.00 0.00 H new ATOM 0 HG11 VAL A 78 44.322 -22.885 9.002 1.00 0.00 H new ATOM 0 HG12 VAL A 78 44.119 -23.282 7.279 1.00 0.00 H new ATOM 0 HG13 VAL A 78 42.699 -23.210 8.349 1.00 0.00 H new ATOM 0 HG21 VAL A 78 44.023 -24.532 10.723 1.00 0.00 H new ATOM 0 HG22 VAL A 78 42.389 -24.914 10.131 1.00 0.00 H new ATOM 0 HG23 VAL A 78 43.585 -26.215 10.342 1.00 0.00 H new ATOM 1216 N PRO A 79 42.859 -25.107 5.241 1.00 0.00 N ATOM 1217 CA PRO A 79 43.294 -24.962 3.846 1.00 0.00 C ATOM 1218 C PRO A 79 44.477 -23.999 3.672 1.00 0.00 C ATOM 1219 O PRO A 79 45.314 -24.184 2.785 1.00 0.00 O ATOM 1220 CB PRO A 79 42.051 -24.498 3.075 1.00 0.00 C ATOM 1221 CG PRO A 79 41.184 -23.822 4.136 1.00 0.00 C ATOM 1222 CD PRO A 79 41.497 -24.610 5.407 1.00 0.00 C ATOM 0 HA PRO A 79 43.677 -25.909 3.465 1.00 0.00 H new ATOM 0 HB2 PRO A 79 42.314 -23.806 2.275 1.00 0.00 H new ATOM 0 HB3 PRO A 79 41.532 -25.338 2.613 1.00 0.00 H new ATOM 0 HG2 PRO A 79 41.434 -22.767 4.246 1.00 0.00 H new ATOM 0 HG3 PRO A 79 40.125 -23.874 3.882 1.00 0.00 H new ATOM 0 HD2 PRO A 79 41.417 -23.976 6.290 1.00 0.00 H new ATOM 0 HD3 PRO A 79 40.794 -25.432 5.540 1.00 0.00 H new ATOM 1230 N PHE A 80 44.571 -22.971 4.520 1.00 0.00 N ATOM 1231 CA PHE A 80 45.653 -21.989 4.466 1.00 0.00 C ATOM 1232 C PHE A 80 46.947 -22.420 5.155 1.00 0.00 C ATOM 1233 O PHE A 80 48.001 -21.958 4.724 1.00 0.00 O ATOM 1234 CB PHE A 80 45.167 -20.652 5.023 1.00 0.00 C ATOM 1235 CG PHE A 80 44.558 -19.806 3.932 1.00 0.00 C ATOM 1236 CD1 PHE A 80 45.403 -19.099 3.053 1.00 0.00 C ATOM 1237 CD2 PHE A 80 43.166 -19.795 3.740 1.00 0.00 C ATOM 1238 CE1 PHE A 80 44.848 -18.364 1.992 1.00 0.00 C ATOM 1239 CE2 PHE A 80 42.613 -19.067 2.674 1.00 0.00 C ATOM 1240 CZ PHE A 80 43.452 -18.350 1.801 1.00 0.00 C ATOM 0 H PHE A 80 43.896 -22.798 5.265 1.00 0.00 H new ATOM 0 HA PHE A 80 45.914 -21.892 3.412 1.00 0.00 H new ATOM 0 HB2 PHE A 80 44.431 -20.826 5.808 1.00 0.00 H new ATOM 0 HB3 PHE A 80 46.001 -20.119 5.480 1.00 0.00 H new ATOM 0 HD1 PHE A 80 46.473 -19.122 3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 80 42.523 -20.345 4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 80 45.491 -17.810 1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 80 41.543 -19.057 2.524 1.00 0.00 H new ATOM 0 HZ PHE A 80 43.025 -17.788 0.983 1.00 0.00 H new ATOM 1250 N CYS A 81 46.904 -23.291 6.172 1.00 0.00 N ATOM 1251 CA CYS A 81 48.104 -23.746 6.883 1.00 0.00 C ATOM 1252 C CYS A 81 49.183 -24.247 5.909 1.00 0.00 C ATOM 1253 O CYS A 81 50.297 -23.725 5.910 1.00 0.00 O ATOM 1254 CB CYS A 81 47.715 -24.802 7.931 1.00 0.00 C ATOM 1255 SG CYS A 81 49.166 -25.579 8.717 1.00 0.00 S ATOM 0 H CYS A 81 46.038 -23.699 6.524 1.00 0.00 H new ATOM 0 HA CYS A 81 48.548 -22.901 7.408 1.00 0.00 H new ATOM 0 HB2 CYS A 81 47.097 -24.336 8.698 1.00 0.00 H new ATOM 0 HB3 CYS A 81 47.107 -25.573 7.457 1.00 0.00 H new ATOM 0 HG CYS A 81 48.798 -26.665 9.330 1.00 0.00 H new ATOM 1260 N LEU A 82 48.846 -25.193 5.021 1.00 0.00 N ATOM 1261 CA LEU A 82 49.794 -25.725 4.032 1.00 0.00 C ATOM 1262 C LEU A 82 50.299 -24.642 3.064 1.00 0.00 C ATOM 1263 O LEU A 82 51.505 -24.517 2.856 1.00 0.00 O ATOM 1264 CB LEU A 82 49.192 -26.910 3.250 1.00 0.00 C ATOM 1265 CG LEU A 82 48.822 -28.186 4.038 1.00 0.00 C ATOM 1266 CD1 LEU A 82 49.828 -28.550 5.131 1.00 0.00 C ATOM 1267 CD2 LEU A 82 47.433 -28.115 4.668 1.00 0.00 C ATOM 0 H LEU A 82 47.916 -25.608 4.968 1.00 0.00 H new ATOM 0 HA LEU A 82 50.654 -26.087 4.596 1.00 0.00 H new ATOM 0 HB2 LEU A 82 48.292 -26.556 2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 82 49.902 -27.192 2.472 1.00 0.00 H new ATOM 0 HG LEU A 82 48.837 -28.967 3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 82 49.500 -29.456 5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 82 50.807 -28.719 4.683 1.00 0.00 H new ATOM 0 HD13 LEU A 82 49.895 -27.734 5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 82 47.231 -29.040 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 82 47.390 -27.274 5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 82 46.685 -27.980 3.886 1.00 0.00 H new ATOM 1279 N ASN A 83 49.395 -23.831 2.501 1.00 0.00 N ATOM 1280 CA ASN A 83 49.746 -22.743 1.577 1.00 0.00 C ATOM 1281 C ASN A 83 50.718 -21.732 2.214 1.00 0.00 C ATOM 1282 O ASN A 83 51.700 -21.330 1.585 1.00 0.00 O ATOM 1283 CB ASN A 83 48.455 -22.072 1.075 1.00 0.00 C ATOM 1284 CG ASN A 83 47.769 -22.902 0.002 1.00 0.00 C ATOM 1285 OD1 ASN A 83 48.193 -22.937 -1.144 1.00 0.00 O ATOM 1286 ND2 ASN A 83 46.704 -23.608 0.315 1.00 0.00 N ATOM 0 H ASN A 83 48.393 -23.911 2.674 1.00 0.00 H new ATOM 0 HA ASN A 83 50.278 -23.163 0.723 1.00 0.00 H new ATOM 0 HB2 ASN A 83 47.773 -21.924 1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 83 48.689 -21.085 0.677 1.00 0.00 H new ATOM 0 HD21 ASN A 83 46.242 -24.176 -0.395 1.00 0.00 H new ATOM 0 HD22 ASN A 83 46.340 -23.587 1.268 1.00 0.00 H new ATOM 1293 N ILE A 84 50.479 -21.345 3.470 1.00 0.00 N ATOM 1294 CA ILE A 84 51.341 -20.440 4.232 1.00 0.00 C ATOM 1295 C ILE A 84 52.659 -21.137 4.582 1.00 0.00 C ATOM 1296 O ILE A 84 53.722 -20.598 4.293 1.00 0.00 O ATOM 1297 CB ILE A 84 50.580 -19.948 5.481 1.00 0.00 C ATOM 1298 CG1 ILE A 84 49.381 -19.065 5.076 1.00 0.00 C ATOM 1299 CG2 ILE A 84 51.445 -19.189 6.499 1.00 0.00 C ATOM 1300 CD1 ILE A 84 48.396 -18.903 6.228 1.00 0.00 C ATOM 0 H ILE A 84 49.663 -21.659 3.996 1.00 0.00 H new ATOM 0 HA ILE A 84 51.597 -19.566 3.633 1.00 0.00 H new ATOM 0 HB ILE A 84 50.241 -20.857 5.979 1.00 0.00 H new ATOM 0 HG12 ILE A 84 49.739 -18.085 4.761 1.00 0.00 H new ATOM 0 HG13 ILE A 84 48.873 -19.509 4.220 1.00 0.00 H new ATOM 0 HG21 ILE A 84 50.828 -18.881 7.343 1.00 0.00 H new ATOM 0 HG22 ILE A 84 52.245 -19.839 6.853 1.00 0.00 H new ATOM 0 HG23 ILE A 84 51.876 -18.308 6.024 1.00 0.00 H new ATOM 0 HD11 ILE A 84 47.563 -18.276 5.909 1.00 0.00 H new ATOM 0 HD12 ILE A 84 48.020 -19.882 6.525 1.00 0.00 H new ATOM 0 HD13 ILE A 84 48.899 -18.435 7.074 1.00 0.00 H new ATOM 1312 N LYS A 85 52.622 -22.345 5.152 1.00 0.00 N ATOM 1313 CA LYS A 85 53.788 -23.159 5.535 1.00 0.00 C ATOM 1314 C LYS A 85 54.787 -23.297 4.386 1.00 0.00 C ATOM 1315 O LYS A 85 55.971 -23.030 4.573 1.00 0.00 O ATOM 1316 CB LYS A 85 53.245 -24.507 6.036 1.00 0.00 C ATOM 1317 CG LYS A 85 54.269 -25.561 6.475 1.00 0.00 C ATOM 1318 CD LYS A 85 53.520 -26.821 6.950 1.00 0.00 C ATOM 1319 CE LYS A 85 52.851 -26.603 8.316 1.00 0.00 C ATOM 1320 NZ LYS A 85 51.554 -27.297 8.443 1.00 0.00 N ATOM 0 H LYS A 85 51.739 -22.807 5.371 1.00 0.00 H new ATOM 0 HA LYS A 85 54.358 -22.678 6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 85 52.581 -24.311 6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 85 52.635 -24.940 5.243 1.00 0.00 H new ATOM 0 HG2 LYS A 85 54.934 -25.808 5.647 1.00 0.00 H new ATOM 0 HG3 LYS A 85 54.893 -25.168 7.278 1.00 0.00 H new ATOM 0 HD2 LYS A 85 52.764 -27.094 6.214 1.00 0.00 H new ATOM 0 HD3 LYS A 85 54.217 -27.656 7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 85 53.521 -26.951 9.102 1.00 0.00 H new ATOM 0 HE3 LYS A 85 52.702 -25.535 8.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 51.462 -27.689 9.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 50.781 -26.623 8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 51.504 -28.069 7.748 1.00 0.00 H new ATOM 1334 N HIS A 86 54.315 -23.639 3.187 1.00 0.00 N ATOM 1335 CA HIS A 86 55.146 -23.744 1.983 1.00 0.00 C ATOM 1336 C HIS A 86 55.895 -22.437 1.650 1.00 0.00 C ATOM 1337 O HIS A 86 57.053 -22.480 1.229 1.00 0.00 O ATOM 1338 CB HIS A 86 54.252 -24.147 0.802 1.00 0.00 C ATOM 1339 CG HIS A 86 53.641 -25.532 0.871 1.00 0.00 C ATOM 1340 ND1 HIS A 86 52.691 -26.028 0.004 1.00 0.00 N ATOM 1341 CD2 HIS A 86 53.899 -26.525 1.783 1.00 0.00 C ATOM 1342 CE1 HIS A 86 52.382 -27.280 0.384 1.00 0.00 C ATOM 1343 NE2 HIS A 86 53.098 -27.631 1.467 1.00 0.00 N ATOM 0 H HIS A 86 53.332 -23.854 3.020 1.00 0.00 H new ATOM 0 HA HIS A 86 55.909 -24.499 2.172 1.00 0.00 H new ATOM 0 HB2 HIS A 86 53.445 -23.420 0.719 1.00 0.00 H new ATOM 0 HB3 HIS A 86 54.840 -24.077 -0.113 1.00 0.00 H new ATOM 0 HD2 HIS A 86 54.599 -26.464 2.603 1.00 0.00 H new ATOM 0 HE1 HIS A 86 51.661 -27.914 -0.110 1.00 0.00 H new ATOM 0 HE2 HIS A 86 53.065 -28.523 1.960 1.00 0.00 H new ATOM 1351 N LYS A 87 55.259 -21.275 1.868 1.00 0.00 N ATOM 1352 CA LYS A 87 55.855 -19.948 1.634 1.00 0.00 C ATOM 1353 C LYS A 87 56.777 -19.517 2.779 1.00 0.00 C ATOM 1354 O LYS A 87 57.857 -19.002 2.515 1.00 0.00 O ATOM 1355 CB LYS A 87 54.736 -18.917 1.404 1.00 0.00 C ATOM 1356 CG LYS A 87 54.137 -19.053 -0.006 1.00 0.00 C ATOM 1357 CD LYS A 87 52.903 -18.167 -0.243 1.00 0.00 C ATOM 1358 CE LYS A 87 53.114 -16.659 -0.032 1.00 0.00 C ATOM 1359 NZ LYS A 87 54.141 -16.093 -0.939 1.00 0.00 N ATOM 0 H LYS A 87 54.302 -21.229 2.217 1.00 0.00 H new ATOM 0 HA LYS A 87 56.479 -20.008 0.742 1.00 0.00 H new ATOM 0 HB2 LYS A 87 53.953 -19.054 2.150 1.00 0.00 H new ATOM 0 HB3 LYS A 87 55.132 -17.910 1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 87 54.901 -18.800 -0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 87 53.863 -20.094 -0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 87 52.554 -18.327 -1.263 1.00 0.00 H new ATOM 0 HD3 LYS A 87 52.106 -18.500 0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 87 52.169 -16.139 -0.190 1.00 0.00 H new ATOM 0 HE3 LYS A 87 53.409 -16.479 1.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 55.010 -15.899 -0.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 54.348 -16.774 -1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 53.787 -15.208 -1.355 1.00 0.00 H new ATOM 1373 N LEU A 88 56.390 -19.743 4.036 1.00 0.00 N ATOM 1374 CA LEU A 88 57.181 -19.389 5.227 1.00 0.00 C ATOM 1375 C LEU A 88 58.482 -20.200 5.364 1.00 0.00 C ATOM 1376 O LEU A 88 59.538 -19.621 5.625 1.00 0.00 O ATOM 1377 CB LEU A 88 56.317 -19.537 6.496 1.00 0.00 C ATOM 1378 CG LEU A 88 55.549 -18.264 6.901 1.00 0.00 C ATOM 1379 CD1 LEU A 88 54.614 -17.709 5.821 1.00 0.00 C ATOM 1380 CD2 LEU A 88 54.766 -18.552 8.184 1.00 0.00 C ATOM 0 H LEU A 88 55.500 -20.186 4.264 1.00 0.00 H new ATOM 0 HA LEU A 88 57.484 -18.349 5.103 1.00 0.00 H new ATOM 0 HB2 LEU A 88 55.601 -20.344 6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 88 56.959 -19.837 7.324 1.00 0.00 H new ATOM 0 HG LEU A 88 56.295 -17.484 7.056 1.00 0.00 H new ATOM 0 HD11 LEU A 88 54.117 -16.814 6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 88 55.193 -17.458 4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 88 53.866 -18.460 5.566 1.00 0.00 H new ATOM 0 HD21 LEU A 88 54.217 -17.659 8.483 1.00 0.00 H new ATOM 0 HD22 LEU A 88 54.064 -19.367 8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 88 55.458 -18.835 8.977 1.00 0.00 H new ATOM 1704 N ASN B 722 33.049 -7.466 9.801 1.00 0.00 N ATOM 1705 CA ASN B 722 32.662 -7.915 11.149 1.00 0.00 C ATOM 1706 C ASN B 722 32.696 -9.434 11.408 1.00 0.00 C ATOM 1707 O ASN B 722 32.672 -9.866 12.563 1.00 0.00 O ATOM 1708 CB ASN B 722 31.354 -7.236 11.573 1.00 0.00 C ATOM 1709 CG ASN B 722 31.127 -7.289 13.076 1.00 0.00 C ATOM 1710 OD1 ASN B 722 30.135 -7.812 13.566 1.00 0.00 O ATOM 1711 ND2 ASN B 722 32.043 -6.754 13.855 1.00 0.00 N ATOM 0 HA ASN B 722 33.461 -7.581 11.811 1.00 0.00 H new ATOM 0 HB2 ASN B 722 31.367 -6.196 11.248 1.00 0.00 H new ATOM 0 HB3 ASN B 722 30.518 -7.718 11.066 1.00 0.00 H new ATOM 0 HD21 ASN B 722 31.926 -6.775 14.868 1.00 0.00 H new ATOM 0 HD22 ASN B 722 32.869 -6.318 13.446 1.00 0.00 H new ATOM 1718 N LEU B 723 32.864 -10.251 10.363 1.00 0.00 N ATOM 1719 CA LEU B 723 33.126 -11.690 10.473 1.00 0.00 C ATOM 1720 C LEU B 723 34.439 -11.936 11.249 1.00 0.00 C ATOM 1721 O LEU B 723 34.632 -13.020 11.783 1.00 0.00 O ATOM 1722 CB LEU B 723 33.174 -12.323 9.069 1.00 0.00 C ATOM 1723 CG LEU B 723 31.896 -12.179 8.222 1.00 0.00 C ATOM 1724 CD1 LEU B 723 32.065 -12.945 6.913 1.00 0.00 C ATOM 1725 CD2 LEU B 723 30.655 -12.723 8.931 1.00 0.00 C ATOM 0 H LEU B 723 32.821 -9.924 9.398 1.00 0.00 H new ATOM 0 HA LEU B 723 32.317 -12.163 11.030 1.00 0.00 H new ATOM 0 HB2 LEU B 723 34.003 -11.878 8.519 1.00 0.00 H new ATOM 0 HB3 LEU B 723 33.397 -13.384 9.178 1.00 0.00 H new ATOM 0 HG LEU B 723 31.751 -11.113 8.047 1.00 0.00 H new ATOM 0 HD11 LEU B 723 31.161 -12.844 6.313 1.00 0.00 H new ATOM 0 HD12 LEU B 723 32.914 -12.540 6.362 1.00 0.00 H new ATOM 0 HD13 LEU B 723 32.241 -13.999 7.128 1.00 0.00 H new ATOM 0 HD21 LEU B 723 29.784 -12.596 8.288 1.00 0.00 H new ATOM 0 HD22 LEU B 723 30.795 -13.782 9.148 1.00 0.00 H new ATOM 0 HD23 LEU B 723 30.501 -12.179 9.863 1.00 0.00 H new ATOM 1737 N LEU B 724 35.288 -10.900 11.349 1.00 0.00 N ATOM 1738 CA LEU B 724 36.580 -10.813 12.046 1.00 0.00 C ATOM 1739 C LEU B 724 36.640 -11.713 13.313 1.00 0.00 C ATOM 1740 O LEU B 724 36.079 -11.339 14.347 1.00 0.00 O ATOM 1741 CB LEU B 724 36.878 -9.326 12.374 1.00 0.00 C ATOM 1742 CG LEU B 724 36.641 -8.266 11.265 1.00 0.00 C ATOM 1743 CD1 LEU B 724 37.214 -6.926 11.721 1.00 0.00 C ATOM 1744 CD2 LEU B 724 37.310 -8.639 9.942 1.00 0.00 C ATOM 0 H LEU B 724 35.063 -10.013 10.898 1.00 0.00 H new ATOM 0 HA LEU B 724 37.356 -11.197 11.384 1.00 0.00 H new ATOM 0 HB2 LEU B 724 36.271 -9.047 13.235 1.00 0.00 H new ATOM 0 HB3 LEU B 724 37.921 -9.256 12.683 1.00 0.00 H new ATOM 0 HG LEU B 724 35.565 -8.211 11.100 1.00 0.00 H new ATOM 0 HD11 LEU B 724 37.050 -6.178 10.946 1.00 0.00 H new ATOM 0 HD12 LEU B 724 36.718 -6.612 12.639 1.00 0.00 H new ATOM 0 HD13 LEU B 724 38.283 -7.031 11.904 1.00 0.00 H new ATOM 0 HD21 LEU B 724 37.112 -7.863 9.203 1.00 0.00 H new ATOM 0 HD22 LEU B 724 38.386 -8.731 10.092 1.00 0.00 H new ATOM 0 HD23 LEU B 724 36.910 -9.589 9.587 1.00 0.00 H new ATOM 1756 N PRO B 725 37.272 -12.907 13.262 1.00 0.00 N ATOM 1757 CA PRO B 725 37.291 -13.868 14.373 1.00 0.00 C ATOM 1758 C PRO B 725 38.319 -13.572 15.482 1.00 0.00 C ATOM 1759 O PRO B 725 38.422 -14.341 16.440 1.00 0.00 O ATOM 1760 CB PRO B 725 37.584 -15.211 13.699 1.00 0.00 C ATOM 1761 CG PRO B 725 38.515 -14.824 12.554 1.00 0.00 C ATOM 1762 CD PRO B 725 37.952 -13.477 12.104 1.00 0.00 C ATOM 0 HA PRO B 725 36.342 -13.833 14.908 1.00 0.00 H new ATOM 0 HB2 PRO B 725 38.058 -15.912 14.386 1.00 0.00 H new ATOM 0 HB3 PRO B 725 36.673 -15.687 13.336 1.00 0.00 H new ATOM 0 HG2 PRO B 725 39.550 -14.740 12.885 1.00 0.00 H new ATOM 0 HG3 PRO B 725 38.496 -15.560 11.750 1.00 0.00 H new ATOM 0 HD2 PRO B 725 38.749 -12.819 11.759 1.00 0.00 H new ATOM 0 HD3 PRO B 725 37.260 -13.604 11.271 1.00 0.00 H new ATOM 1770 N MET B 726 39.090 -12.486 15.366 1.00 0.00 N ATOM 1771 CA MET B 726 40.144 -12.098 16.314 1.00 0.00 C ATOM 1772 C MET B 726 40.146 -10.583 16.553 1.00 0.00 C ATOM 1773 O MET B 726 39.852 -9.804 15.643 1.00 0.00 O ATOM 1774 CB MET B 726 41.468 -12.618 15.748 1.00 0.00 C ATOM 1775 CG MET B 726 42.688 -12.357 16.627 1.00 0.00 C ATOM 1776 SD MET B 726 44.161 -13.317 16.178 1.00 0.00 S ATOM 1777 CE MET B 726 44.404 -12.818 14.451 1.00 0.00 C ATOM 0 H MET B 726 38.997 -11.833 14.588 1.00 0.00 H new ATOM 0 HA MET B 726 39.973 -12.538 17.297 1.00 0.00 H new ATOM 0 HB2 MET B 726 41.380 -13.692 15.584 1.00 0.00 H new ATOM 0 HB3 MET B 726 41.635 -12.159 14.774 1.00 0.00 H new ATOM 0 HG2 MET B 726 42.933 -11.296 16.580 1.00 0.00 H new ATOM 0 HG3 MET B 726 42.428 -12.578 17.662 1.00 0.00 H new ATOM 0 HE1 MET B 726 45.343 -13.231 14.082 1.00 0.00 H new ATOM 0 HE2 MET B 726 43.579 -13.193 13.845 1.00 0.00 H new ATOM 0 HE3 MET B 726 44.436 -11.730 14.388 1.00 0.00 H new ATOM 1787 N SER B 727 40.464 -10.175 17.783 1.00 0.00 N ATOM 1788 CA SER B 727 40.452 -8.773 18.244 1.00 0.00 C ATOM 1789 C SER B 727 41.691 -7.980 17.796 1.00 0.00 C ATOM 1790 O SER B 727 42.729 -8.595 17.553 1.00 0.00 O ATOM 1791 CB SER B 727 40.395 -8.722 19.783 1.00 0.00 C ATOM 1792 OG SER B 727 39.461 -9.641 20.319 1.00 0.00 O ATOM 0 H SER B 727 40.747 -10.827 18.514 1.00 0.00 H new ATOM 0 HA SER B 727 39.569 -8.317 17.795 1.00 0.00 H new ATOM 0 HB2 SER B 727 41.384 -8.936 20.188 1.00 0.00 H new ATOM 0 HB3 SER B 727 40.132 -7.713 20.101 1.00 0.00 H new ATOM 0 HG SER B 727 39.854 -10.539 20.329 1.00 0.00 H new ATOM 1798 N PRO B 728 41.645 -6.633 17.721 1.00 0.00 N ATOM 1799 CA PRO B 728 42.799 -5.804 17.345 1.00 0.00 C ATOM 1800 C PRO B 728 44.073 -6.067 18.170 1.00 0.00 C ATOM 1801 O PRO B 728 45.166 -6.129 17.612 1.00 0.00 O ATOM 1802 CB PRO B 728 42.335 -4.350 17.497 1.00 0.00 C ATOM 1803 CG PRO B 728 40.820 -4.438 17.337 1.00 0.00 C ATOM 1804 CD PRO B 728 40.485 -5.786 17.970 1.00 0.00 C ATOM 0 HA PRO B 728 43.097 -6.048 16.325 1.00 0.00 H new ATOM 0 HB2 PRO B 728 42.612 -3.940 18.468 1.00 0.00 H new ATOM 0 HB3 PRO B 728 42.781 -3.705 16.740 1.00 0.00 H new ATOM 0 HG2 PRO B 728 40.312 -3.617 17.844 1.00 0.00 H new ATOM 0 HG3 PRO B 728 40.522 -4.399 16.289 1.00 0.00 H new ATOM 0 HD2 PRO B 728 40.297 -5.682 19.039 1.00 0.00 H new ATOM 0 HD3 PRO B 728 39.585 -6.214 17.529 1.00 0.00 H new ATOM 1812 N GLU B 729 43.953 -6.242 19.493 1.00 0.00 N ATOM 1813 CA GLU B 729 45.102 -6.523 20.376 1.00 0.00 C ATOM 1814 C GLU B 729 45.681 -7.930 20.159 1.00 0.00 C ATOM 1815 O GLU B 729 46.897 -8.123 20.197 1.00 0.00 O ATOM 1816 CB GLU B 729 44.695 -6.365 21.848 1.00 0.00 C ATOM 1817 CG GLU B 729 44.415 -4.903 22.222 1.00 0.00 C ATOM 1818 CD GLU B 729 44.110 -4.765 23.724 1.00 0.00 C ATOM 1819 OE1 GLU B 729 44.966 -5.157 24.553 1.00 0.00 O ATOM 1820 OE2 GLU B 729 43.018 -4.264 24.088 1.00 0.00 O ATOM 0 H GLU B 729 43.060 -6.194 19.984 1.00 0.00 H new ATOM 0 HA GLU B 729 45.877 -5.800 20.121 1.00 0.00 H new ATOM 0 HB2 GLU B 729 43.806 -6.964 22.043 1.00 0.00 H new ATOM 0 HB3 GLU B 729 45.488 -6.755 22.486 1.00 0.00 H new ATOM 0 HG2 GLU B 729 45.277 -4.287 21.964 1.00 0.00 H new ATOM 0 HG3 GLU B 729 43.572 -4.531 21.641 1.00 0.00 H new ATOM 1827 N GLU B 730 44.823 -8.916 19.883 1.00 0.00 N ATOM 1828 CA GLU B 730 45.241 -10.287 19.566 1.00 0.00 C ATOM 1829 C GLU B 730 45.947 -10.290 18.201 1.00 0.00 C ATOM 1830 O GLU B 730 47.054 -10.807 18.073 1.00 0.00 O ATOM 1831 CB GLU B 730 44.020 -11.215 19.537 1.00 0.00 C ATOM 1832 CG GLU B 730 43.323 -11.355 20.893 1.00 0.00 C ATOM 1833 CD GLU B 730 42.067 -12.240 20.771 1.00 0.00 C ATOM 1834 OE1 GLU B 730 41.104 -11.825 20.078 1.00 0.00 O ATOM 1835 OE2 GLU B 730 42.038 -13.333 21.384 1.00 0.00 O ATOM 0 H GLU B 730 43.811 -8.786 19.873 1.00 0.00 H new ATOM 0 HA GLU B 730 45.928 -10.649 20.331 1.00 0.00 H new ATOM 0 HB2 GLU B 730 43.304 -10.837 18.807 1.00 0.00 H new ATOM 0 HB3 GLU B 730 44.332 -12.202 19.195 1.00 0.00 H new ATOM 0 HG2 GLU B 730 44.011 -11.790 21.618 1.00 0.00 H new ATOM 0 HG3 GLU B 730 43.045 -10.370 21.268 1.00 0.00 H new ATOM 1842 N PHE B 731 45.345 -9.640 17.199 1.00 0.00 N ATOM 1843 CA PHE B 731 45.917 -9.450 15.864 1.00 0.00 C ATOM 1844 C PHE B 731 47.290 -8.751 15.922 1.00 0.00 C ATOM 1845 O PHE B 731 48.196 -9.118 15.173 1.00 0.00 O ATOM 1846 CB PHE B 731 44.908 -8.672 15.003 1.00 0.00 C ATOM 1847 CG PHE B 731 45.374 -8.358 13.592 1.00 0.00 C ATOM 1848 CD1 PHE B 731 46.102 -7.178 13.338 1.00 0.00 C ATOM 1849 CD2 PHE B 731 45.072 -9.231 12.529 1.00 0.00 C ATOM 1850 CE1 PHE B 731 46.536 -6.882 12.033 1.00 0.00 C ATOM 1851 CE2 PHE B 731 45.499 -8.929 11.223 1.00 0.00 C ATOM 1852 CZ PHE B 731 46.236 -7.757 10.976 1.00 0.00 C ATOM 0 H PHE B 731 44.421 -9.220 17.298 1.00 0.00 H new ATOM 0 HA PHE B 731 46.100 -10.423 15.408 1.00 0.00 H new ATOM 0 HB2 PHE B 731 43.984 -9.247 14.944 1.00 0.00 H new ATOM 0 HB3 PHE B 731 44.669 -7.736 15.507 1.00 0.00 H new ATOM 0 HD1 PHE B 731 46.327 -6.499 14.147 1.00 0.00 H new ATOM 0 HD2 PHE B 731 44.511 -10.135 12.717 1.00 0.00 H new ATOM 0 HE1 PHE B 731 47.100 -5.981 11.844 1.00 0.00 H new ATOM 0 HE2 PHE B 731 45.261 -9.598 10.409 1.00 0.00 H new ATOM 0 HZ PHE B 731 46.571 -7.530 9.975 1.00 0.00 H new ATOM 1862 N ASP B 732 47.482 -7.779 16.822 1.00 0.00 N ATOM 1863 CA ASP B 732 48.770 -7.100 17.019 1.00 0.00 C ATOM 1864 C ASP B 732 49.831 -8.056 17.603 1.00 0.00 C ATOM 1865 O ASP B 732 50.945 -8.121 17.086 1.00 0.00 O ATOM 1866 CB ASP B 732 48.578 -5.867 17.910 1.00 0.00 C ATOM 1867 CG ASP B 732 49.881 -5.063 18.050 1.00 0.00 C ATOM 1868 OD1 ASP B 732 50.290 -4.397 17.068 1.00 0.00 O ATOM 1869 OD2 ASP B 732 50.489 -5.072 19.147 1.00 0.00 O ATOM 0 H ASP B 732 46.744 -7.439 17.438 1.00 0.00 H new ATOM 0 HA ASP B 732 49.140 -6.773 16.047 1.00 0.00 H new ATOM 0 HB2 ASP B 732 47.800 -5.230 17.489 1.00 0.00 H new ATOM 0 HB3 ASP B 732 48.235 -6.180 18.896 1.00 0.00 H new ATOM 1874 N GLU B 733 49.491 -8.850 18.626 1.00 0.00 N ATOM 1875 CA GLU B 733 50.385 -9.872 19.206 1.00 0.00 C ATOM 1876 C GLU B 733 50.682 -11.001 18.202 1.00 0.00 C ATOM 1877 O GLU B 733 51.780 -11.559 18.218 1.00 0.00 O ATOM 1878 CB GLU B 733 49.775 -10.380 20.526 1.00 0.00 C ATOM 1879 CG GLU B 733 50.656 -11.328 21.358 1.00 0.00 C ATOM 1880 CD GLU B 733 51.994 -10.727 21.848 1.00 0.00 C ATOM 1881 OE1 GLU B 733 52.163 -9.486 21.878 1.00 0.00 O ATOM 1882 OE2 GLU B 733 52.895 -11.504 22.246 1.00 0.00 O ATOM 0 H GLU B 733 48.580 -8.804 19.082 1.00 0.00 H new ATOM 0 HA GLU B 733 51.354 -9.427 19.431 1.00 0.00 H new ATOM 0 HB2 GLU B 733 49.523 -9.517 21.142 1.00 0.00 H new ATOM 0 HB3 GLU B 733 48.840 -10.892 20.297 1.00 0.00 H new ATOM 0 HG2 GLU B 733 50.086 -11.659 22.226 1.00 0.00 H new ATOM 0 HG3 GLU B 733 50.872 -12.214 20.761 1.00 0.00 H new ATOM 1889 N VAL B 734 49.766 -11.289 17.270 1.00 0.00 N ATOM 1890 CA VAL B 734 50.025 -12.211 16.157 1.00 0.00 C ATOM 1891 C VAL B 734 51.025 -11.562 15.190 1.00 0.00 C ATOM 1892 O VAL B 734 52.062 -12.151 14.886 1.00 0.00 O ATOM 1893 CB VAL B 734 48.725 -12.611 15.434 1.00 0.00 C ATOM 1894 CG1 VAL B 734 49.011 -13.294 14.099 1.00 0.00 C ATOM 1895 CG2 VAL B 734 47.857 -13.574 16.251 1.00 0.00 C ATOM 0 H VAL B 734 48.827 -10.891 17.265 1.00 0.00 H new ATOM 0 HA VAL B 734 50.454 -13.131 16.554 1.00 0.00 H new ATOM 0 HB VAL B 734 48.190 -11.673 15.287 1.00 0.00 H new ATOM 0 HG11 VAL B 734 48.070 -13.562 13.618 1.00 0.00 H new ATOM 0 HG12 VAL B 734 49.567 -12.614 13.454 1.00 0.00 H new ATOM 0 HG13 VAL B 734 49.600 -14.195 14.270 1.00 0.00 H new ATOM 0 HG21 VAL B 734 46.956 -13.818 15.688 1.00 0.00 H new ATOM 0 HG22 VAL B 734 48.417 -14.487 16.453 1.00 0.00 H new ATOM 0 HG23 VAL B 734 47.579 -13.103 17.194 1.00 0.00 H new ATOM 1905 N SER B 735 50.749 -10.334 14.736 1.00 0.00 N ATOM 1906 CA SER B 735 51.604 -9.568 13.812 1.00 0.00 C ATOM 1907 C SER B 735 53.032 -9.386 14.339 1.00 0.00 C ATOM 1908 O SER B 735 53.987 -9.478 13.569 1.00 0.00 O ATOM 1909 CB SER B 735 50.993 -8.194 13.511 1.00 0.00 C ATOM 1910 OG SER B 735 49.727 -8.329 12.890 1.00 0.00 O ATOM 0 H SER B 735 49.904 -9.830 15.006 1.00 0.00 H new ATOM 0 HA SER B 735 51.660 -10.154 12.895 1.00 0.00 H new ATOM 0 HB2 SER B 735 50.890 -7.627 14.436 1.00 0.00 H new ATOM 0 HB3 SER B 735 51.662 -7.628 12.863 1.00 0.00 H new ATOM 0 HG SER B 735 49.061 -8.591 13.559 1.00 0.00 H new ATOM 1916 N ARG B 736 53.185 -9.183 15.655 1.00 0.00 N ATOM 1917 CA ARG B 736 54.466 -9.059 16.374 1.00 0.00 C ATOM 1918 C ARG B 736 55.398 -10.247 16.105 1.00 0.00 C ATOM 1919 O ARG B 736 56.603 -10.056 15.938 1.00 0.00 O ATOM 1920 CB ARG B 736 54.132 -8.930 17.870 1.00 0.00 C ATOM 1921 CG ARG B 736 55.323 -8.696 18.807 1.00 0.00 C ATOM 1922 CD ARG B 736 54.796 -8.735 20.246 1.00 0.00 C ATOM 1923 NE ARG B 736 55.826 -8.382 21.237 1.00 0.00 N ATOM 1924 CZ ARG B 736 55.612 -8.211 22.530 1.00 0.00 C ATOM 1925 NH1 ARG B 736 54.450 -8.425 23.079 1.00 0.00 N ATOM 1926 NH2 ARG B 736 56.581 -7.816 23.307 1.00 0.00 N ATOM 0 H ARG B 736 52.383 -9.096 16.279 1.00 0.00 H new ATOM 0 HA ARG B 736 55.008 -8.181 16.023 1.00 0.00 H new ATOM 0 HB2 ARG B 736 53.429 -8.106 17.995 1.00 0.00 H new ATOM 0 HB3 ARG B 736 53.619 -9.838 18.187 1.00 0.00 H new ATOM 0 HG2 ARG B 736 56.084 -9.462 18.657 1.00 0.00 H new ATOM 0 HG3 ARG B 736 55.792 -7.735 18.597 1.00 0.00 H new ATOM 0 HD2 ARG B 736 53.956 -8.047 20.340 1.00 0.00 H new ATOM 0 HD3 ARG B 736 54.416 -9.733 20.463 1.00 0.00 H new ATOM 0 HE ARG B 736 56.781 -8.260 20.899 1.00 0.00 H new ATOM 0 HH11 ARG B 736 53.665 -8.736 22.507 1.00 0.00 H new ATOM 0 HH12 ARG B 736 54.325 -8.282 24.081 1.00 0.00 H new ATOM 0 HH21 ARG B 736 57.507 -7.638 22.918 1.00 0.00 H new ATOM 0 HH22 ARG B 736 56.414 -7.685 24.305 1.00 0.00 H new ATOM 1940 N ILE B 737 54.836 -11.459 16.045 1.00 0.00 N ATOM 1941 CA ILE B 737 55.581 -12.704 15.776 1.00 0.00 C ATOM 1942 C ILE B 737 55.664 -13.007 14.271 1.00 0.00 C ATOM 1943 O ILE B 737 56.742 -13.333 13.772 1.00 0.00 O ATOM 1944 CB ILE B 737 54.945 -13.895 16.529 1.00 0.00 C ATOM 1945 CG1 ILE B 737 54.809 -13.572 18.035 1.00 0.00 C ATOM 1946 CG2 ILE B 737 55.775 -15.179 16.317 1.00 0.00 C ATOM 1947 CD1 ILE B 737 54.327 -14.741 18.897 1.00 0.00 C ATOM 0 H ILE B 737 53.837 -11.610 16.183 1.00 0.00 H new ATOM 0 HA ILE B 737 56.598 -12.558 16.141 1.00 0.00 H new ATOM 0 HB ILE B 737 53.948 -14.066 16.124 1.00 0.00 H new ATOM 0 HG12 ILE B 737 55.776 -13.236 18.410 1.00 0.00 H new ATOM 0 HG13 ILE B 737 54.115 -12.740 18.153 1.00 0.00 H new ATOM 0 HG21 ILE B 737 55.311 -16.005 16.855 1.00 0.00 H new ATOM 0 HG22 ILE B 737 55.815 -15.415 15.254 1.00 0.00 H new ATOM 0 HG23 ILE B 737 56.787 -15.024 16.692 1.00 0.00 H new ATOM 0 HD11 ILE B 737 54.261 -14.423 19.938 1.00 0.00 H new ATOM 0 HD12 ILE B 737 53.344 -15.065 18.554 1.00 0.00 H new ATOM 0 HD13 ILE B 737 55.031 -15.569 18.814 1.00 0.00 H new ATOM 1959 N VAL B 738 54.547 -12.914 13.538 1.00 0.00 N ATOM 1960 CA VAL B 738 54.474 -13.205 12.087 1.00 0.00 C ATOM 1961 C VAL B 738 55.372 -12.272 11.258 1.00 0.00 C ATOM 1962 O VAL B 738 55.940 -12.685 10.246 1.00 0.00 O ATOM 1963 CB VAL B 738 53.011 -13.174 11.594 1.00 0.00 C ATOM 1964 CG1 VAL B 738 52.889 -13.436 10.088 1.00 0.00 C ATOM 1965 CG2 VAL B 738 52.191 -14.271 12.289 1.00 0.00 C ATOM 0 H VAL B 738 53.651 -12.631 13.936 1.00 0.00 H new ATOM 0 HA VAL B 738 54.859 -14.214 11.939 1.00 0.00 H new ATOM 0 HB VAL B 738 52.642 -12.175 11.826 1.00 0.00 H new ATOM 0 HG11 VAL B 738 51.839 -13.402 9.797 1.00 0.00 H new ATOM 0 HG12 VAL B 738 53.442 -12.673 9.540 1.00 0.00 H new ATOM 0 HG13 VAL B 738 53.299 -14.419 9.855 1.00 0.00 H new ATOM 0 HG21 VAL B 738 51.162 -14.237 11.932 1.00 0.00 H new ATOM 0 HG22 VAL B 738 52.622 -15.246 12.062 1.00 0.00 H new ATOM 0 HG23 VAL B 738 52.206 -14.109 13.367 1.00 0.00 H new ATOM 1975 N GLY B 739 55.523 -11.020 11.699 1.00 0.00 N ATOM 1976 CA GLY B 739 56.369 -9.989 11.076 1.00 0.00 C ATOM 1977 C GLY B 739 56.092 -9.714 9.590 1.00 0.00 C ATOM 1978 O GLY B 739 56.993 -9.293 8.865 1.00 0.00 O ATOM 0 H GLY B 739 55.042 -10.680 12.532 1.00 0.00 H new ATOM 0 HA2 GLY B 739 56.244 -9.058 11.629 1.00 0.00 H new ATOM 0 HA3 GLY B 739 57.412 -10.286 11.184 1.00 0.00 H new ATOM 1982 N SER B 740 54.860 -9.965 9.127 1.00 0.00 N ATOM 1983 CA SER B 740 54.367 -9.823 7.740 1.00 0.00 C ATOM 1984 C SER B 740 55.150 -10.561 6.631 1.00 0.00 C ATOM 1985 O SER B 740 54.944 -10.274 5.451 1.00 0.00 O ATOM 1986 CB SER B 740 54.101 -8.352 7.389 1.00 0.00 C ATOM 1987 OG SER B 740 55.290 -7.586 7.250 1.00 0.00 O ATOM 0 H SER B 740 54.125 -10.296 9.752 1.00 0.00 H new ATOM 0 HA SER B 740 53.423 -10.367 7.752 1.00 0.00 H new ATOM 0 HB2 SER B 740 53.535 -8.304 6.459 1.00 0.00 H new ATOM 0 HB3 SER B 740 53.478 -7.907 8.165 1.00 0.00 H new ATOM 0 HG SER B 740 56.037 -8.064 7.666 1.00 0.00 H new ATOM 1993 N VAL B 741 56.003 -11.528 7.004 1.00 0.00 N ATOM 1994 CA VAL B 741 56.877 -12.407 6.182 1.00 0.00 C ATOM 1995 C VAL B 741 56.695 -12.338 4.648 1.00 0.00 C ATOM 1996 O VAL B 741 57.573 -11.827 3.952 1.00 0.00 O ATOM 1997 CB VAL B 741 56.832 -13.841 6.761 1.00 0.00 C ATOM 1998 CG1 VAL B 741 55.420 -14.438 6.912 1.00 0.00 C ATOM 1999 CG2 VAL B 741 57.709 -14.824 5.978 1.00 0.00 C ATOM 0 H VAL B 741 56.116 -11.743 7.995 1.00 0.00 H new ATOM 0 HA VAL B 741 57.887 -12.007 6.272 1.00 0.00 H new ATOM 0 HB VAL B 741 57.234 -13.711 7.766 1.00 0.00 H new ATOM 0 HG11 VAL B 741 55.493 -15.444 7.325 1.00 0.00 H new ATOM 0 HG12 VAL B 741 54.830 -13.812 7.582 1.00 0.00 H new ATOM 0 HG13 VAL B 741 54.937 -14.480 5.936 1.00 0.00 H new ATOM 0 HG21 VAL B 741 57.638 -15.814 6.429 1.00 0.00 H new ATOM 0 HG22 VAL B 741 57.368 -14.871 4.944 1.00 0.00 H new ATOM 0 HG23 VAL B 741 58.745 -14.487 6.003 1.00 0.00 H new ATOM 2009 N GLU B 742 55.549 -12.783 4.126 1.00 0.00 N ATOM 2010 CA GLU B 742 55.114 -12.710 2.708 1.00 0.00 C ATOM 2011 C GLU B 742 53.574 -12.537 2.649 1.00 0.00 C ATOM 2012 O GLU B 742 52.902 -12.902 1.682 1.00 0.00 O ATOM 2013 CB GLU B 742 55.550 -13.966 1.920 1.00 0.00 C ATOM 2014 CG GLU B 742 57.074 -14.118 1.767 1.00 0.00 C ATOM 2015 CD GLU B 742 57.495 -15.194 0.744 1.00 0.00 C ATOM 2016 OE1 GLU B 742 56.629 -15.919 0.195 1.00 0.00 O ATOM 2017 OE2 GLU B 742 58.716 -15.299 0.476 1.00 0.00 O ATOM 0 H GLU B 742 54.847 -13.235 4.712 1.00 0.00 H new ATOM 0 HA GLU B 742 55.593 -11.850 2.241 1.00 0.00 H new ATOM 0 HB2 GLU B 742 55.157 -14.850 2.421 1.00 0.00 H new ATOM 0 HB3 GLU B 742 55.098 -13.934 0.929 1.00 0.00 H new ATOM 0 HG2 GLU B 742 57.497 -13.159 1.466 1.00 0.00 H new ATOM 0 HG3 GLU B 742 57.504 -14.365 2.738 1.00 0.00 H new ATOM 2024 N PHE B 743 53.023 -12.030 3.755 1.00 0.00 N ATOM 2025 CA PHE B 743 51.618 -11.892 4.122 1.00 0.00 C ATOM 2026 C PHE B 743 50.652 -11.364 3.053 1.00 0.00 C ATOM 2027 O PHE B 743 49.544 -11.879 2.911 1.00 0.00 O ATOM 2028 CB PHE B 743 51.610 -11.039 5.389 1.00 0.00 C ATOM 2029 CG PHE B 743 50.411 -11.211 6.279 1.00 0.00 C ATOM 2030 CD1 PHE B 743 50.139 -12.472 6.844 1.00 0.00 C ATOM 2031 CD2 PHE B 743 49.621 -10.094 6.609 1.00 0.00 C ATOM 2032 CE1 PHE B 743 49.109 -12.597 7.786 1.00 0.00 C ATOM 2033 CE2 PHE B 743 48.558 -10.234 7.515 1.00 0.00 C ATOM 2034 CZ PHE B 743 48.310 -11.483 8.104 1.00 0.00 C ATOM 0 H PHE B 743 53.622 -11.666 4.496 1.00 0.00 H new ATOM 0 HA PHE B 743 51.211 -12.893 4.269 1.00 0.00 H new ATOM 0 HB2 PHE B 743 52.505 -11.270 5.967 1.00 0.00 H new ATOM 0 HB3 PHE B 743 51.678 -9.990 5.100 1.00 0.00 H new ATOM 0 HD1 PHE B 743 50.719 -13.335 6.554 1.00 0.00 H new ATOM 0 HD2 PHE B 743 49.832 -9.132 6.166 1.00 0.00 H new ATOM 0 HE1 PHE B 743 48.929 -13.547 8.267 1.00 0.00 H new ATOM 0 HE2 PHE B 743 47.935 -9.386 7.757 1.00 0.00 H new ATOM 0 HZ PHE B 743 47.498 -11.591 8.808 1.00 0.00 H new ATOM 2044 N ASP B 744 51.074 -10.381 2.258 1.00 0.00 N ATOM 2045 CA ASP B 744 50.301 -9.798 1.150 1.00 0.00 C ATOM 2046 C ASP B 744 50.136 -10.741 -0.067 1.00 0.00 C ATOM 2047 O ASP B 744 49.623 -10.329 -1.109 1.00 0.00 O ATOM 2048 CB ASP B 744 50.947 -8.462 0.748 1.00 0.00 C ATOM 2049 CG ASP B 744 52.348 -8.633 0.133 1.00 0.00 C ATOM 2050 OD1 ASP B 744 53.292 -8.996 0.875 1.00 0.00 O ATOM 2051 OD2 ASP B 744 52.517 -8.376 -1.084 1.00 0.00 O ATOM 0 H ASP B 744 51.993 -9.951 2.367 1.00 0.00 H new ATOM 0 HA ASP B 744 49.284 -9.633 1.507 1.00 0.00 H new ATOM 0 HB2 ASP B 744 50.301 -7.953 0.032 1.00 0.00 H new ATOM 0 HB3 ASP B 744 51.017 -7.820 1.626 1.00 0.00 H new ATOM 2056 N SER B 745 50.593 -11.995 0.044 1.00 0.00 N ATOM 2057 CA SER B 745 50.594 -13.002 -1.024 1.00 0.00 C ATOM 2058 C SER B 745 50.186 -14.419 -0.558 1.00 0.00 C ATOM 2059 O SER B 745 50.323 -15.376 -1.318 1.00 0.00 O ATOM 2060 CB SER B 745 51.998 -12.974 -1.650 1.00 0.00 C ATOM 2061 OG SER B 745 52.061 -13.644 -2.898 1.00 0.00 O ATOM 0 H SER B 745 50.988 -12.349 0.915 1.00 0.00 H new ATOM 0 HA SER B 745 49.828 -12.752 -1.758 1.00 0.00 H new ATOM 0 HB2 SER B 745 52.310 -11.938 -1.784 1.00 0.00 H new ATOM 0 HB3 SER B 745 52.706 -13.434 -0.961 1.00 0.00 H new ATOM 0 HG SER B 745 51.509 -14.453 -2.863 1.00 0.00 H new ATOM 2067 N MET B 746 49.669 -14.608 0.670 1.00 0.00 N ATOM 2068 CA MET B 746 49.277 -15.942 1.194 1.00 0.00 C ATOM 2069 C MET B 746 48.258 -16.701 0.319 1.00 0.00 C ATOM 2070 O MET B 746 48.233 -17.932 0.337 1.00 0.00 O ATOM 2071 CB MET B 746 48.749 -15.864 2.634 1.00 0.00 C ATOM 2072 CG MET B 746 49.738 -15.317 3.676 1.00 0.00 C ATOM 2073 SD MET B 746 51.516 -15.317 3.276 1.00 0.00 S ATOM 2074 CE MET B 746 51.912 -17.072 3.304 1.00 0.00 C ATOM 0 H MET B 746 49.509 -13.847 1.330 1.00 0.00 H new ATOM 0 HA MET B 746 50.205 -16.514 1.172 1.00 0.00 H new ATOM 0 HB2 MET B 746 47.858 -15.237 2.641 1.00 0.00 H new ATOM 0 HB3 MET B 746 48.439 -16.862 2.943 1.00 0.00 H new ATOM 0 HG2 MET B 746 49.449 -14.290 3.899 1.00 0.00 H new ATOM 0 HG3 MET B 746 49.605 -15.892 4.592 1.00 0.00 H new ATOM 0 HE1 MET B 746 52.951 -17.215 3.006 1.00 0.00 H new ATOM 0 HE2 MET B 746 51.766 -17.462 4.311 1.00 0.00 H new ATOM 0 HE3 MET B 746 51.259 -17.603 2.611 1.00 0.00 H new